[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate

C213H256N12O43 — CID 161059212

IUPAC[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
SMILESCCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C4CC4)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)CC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)COC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(C)=O)c3)C(C)=O)cc2OC)cc1
InChIInChI=1S/C37H46N2O7.C36H42N2O7.C36H44N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-7-8-9-10-11-21-45-30-18-16-27(17-19-30)35(42)46-32-20-15-26(23-33(32)44-6)22-31(25(2)40)39-34(41)28-13-12-14-29(24-28)38-36(43)37(3,4)5;1-4-5-6-7-8-20-44-30-17-15-27(16-18-30)36(42)45-32-19-12-25(22-33(32)43-3)21-31(24(2)39)38-35(41)28-10-9-11-29(23-28)37-34(40)26-13-14-26;1-6-7-8-9-10-20-44-30-17-15-27(16-18-30)36(42)45-32-19-14-26(22-33(32)43-5)21-31(25(4)39)38-35(41)28-12-11-13-29(23-28)37-34(40)24(2)3;1-5-6-7-8-9-19-44-29-16-14-26(15-17-29)35(41)45-31-18-13-25(21-32(31)43-4)20-30(24(2)38)37-34(40)27-11-10-12-28(22-27)36-33(39)23-42-3;1-5-7-8-9-10-20-43-29-17-15-26(16-18-29)35(41)44-31-19-14-25(22-32(31)42-4)21-30(24(3)38)37-34(40)27-12-11-13-28(23-27)36-33(39)6-2;1-5-6-7-8-9-19-42-29-16-14-26(15-17-29)34(40)43-31-18-13-25(21-32(31)41-4)20-30(23(2)37)36-33(39)27-11-10-12-28(22-27)35-24(3)38/h12-20,23-24,31H,7-11,21-22H2,1-6H3,(H,38,43)(H,39,41);9-12,15-19,22-23,26,31H,4-8,13-14,20-21H2,1-3H3,(H,37,40)(H,38,41);11-19,22-24,31H,6-10,20-21H2,1-5H3,(H,37,40)(H,38,41);10-18,21-22,30H,5-9,19-20,23H2,1-4H3,(H,36,39)(H,37,40);11-19,22-23,30H,5-10,20-21H2,1-4H3,(H,36,39)(H,37,40);10-18,21-22,30H,5-9,19-20H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyUDECPIXOGWDZIG-UHFFFAOYSA-N
MW3672.43 g/mol
LogP38.98
Rot. Bonds101

About [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate

[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate (PubChem CID 161059212) has the molecular formula C213H256N12O43 and a molecular weight of 3672.43 g/mol. Its IUPAC name is [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate.

Molecular Properties

Compound Name[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
PubChem CID161059212
Molecular FormulaC213H256N12O43
Molecular Weight3672.43 g/mol
Exact Mass3669.82
IUPAC Name[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
SMILESCCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C4CC4)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)CC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)COC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(C)=O)c3)C(C)=O)cc2OC)cc1
InChIInChI=1S/C37H46N2O7.C36H42N2O7.C36H44N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-7-8-9-10-11-21-45-30-18-16-27(17-19-30)35(42)46-32-20-15-26(23-33(32)44-6)22-31(25(2)40)39-34(41)28-13-12-14-29(24-28)38-36(43)37(3,4)5;1-4-5-6-7-8-20-44-30-17-15-27(16-18-30)36(42)45-32-19-12-25(22-33(32)43-3)21-31(24(2)39)38-35(41)28-10-9-11-29(23-28)37-34(40)26-13-14-26;1-6-7-8-9-10-20-44-30-17-15-27(16-18-30)36(42)45-32-19-14-26(22-33(32)43-5)21-31(25(4)39)38-35(41)28-12-11-13-29(23-28)37-34(40)24(2)3;1-5-6-7-8-9-19-44-29-16-14-26(15-17-29)35(41)45-31-18-13-25(21-32(31)43-4)20-30(24(2)38)37-34(40)27-11-10-12-28(22-27)36-33(39)23-42-3;1-5-7-8-9-10-20-43-29-17-15-26(16-18-29)35(41)44-31-19-14-25(22-32(31)42-4)21-30(24(3)38)37-34(40)27-12-11-13-28(23-27)36-33(39)6-2;1-5-6-7-8-9-19-42-29-16-14-26(15-17-29)34(40)43-31-18-13-25(21-32(31)41-4)20-30(23(2)37)36-33(39)27-11-10-12-28(22-27)35-24(3)38/h12-20,23-24,31H,7-11,21-22H2,1-6H3,(H,38,43)(H,39,41);9-12,15-19,22-23,26,31H,4-8,13-14,20-21H2,1-3H3,(H,37,40)(H,38,41);11-19,22-24,31H,6-10,20-21H2,1-5H3,(H,37,40)(H,38,41);10-18,21-22,30H,5-9,19-20,23H2,1-4H3,(H,36,39)(H,37,40);11-19,22-23,30H,5-10,20-21H2,1-4H3,(H,36,39)(H,37,40);10-18,21-22,30H,5-9,19-20H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyUDECPIXOGWDZIG-UHFFFAOYSA-N
XLogP38.98
TPSA729.41 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds101
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003672.43
LogP ≤ 538.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate
CID 58545756
[4-[2-[(4-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[(4-benzamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[4-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[4-[(4-methoxy-4-oxobutanoyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[4-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
CID 159830484
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid
CID 58546075
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]propanoic acid
CID 58546109
[2-methoxy-4-[2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate
CID 58545994
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[3-(propanoylamino)benzoyl]amino]propanoic acid
CID 58545968
2-[(3-acetamidobenzoyl)amino]-3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]propanoic acid
CID 58545671
[2-methoxy-4-[3-oxo-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
CID 58545794
[4-[2-[[3-(1-benzothiophene-2-carbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate
CID 58545817
2-[[3-[(4-fluorobenzoyl)amino]benzoyl]amino]-3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]propanoic acid
CID 58545918
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[4-[(2-phenoxyacetyl)amino]benzoyl]amino]propanoic acid
CID 58546067
2-[[3-[(3,5-dimethyl-2,3-dihydro-1,2-oxazole-4-carbonyl)amino]benzoyl]amino]-3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]propanoic acid
CID 123662223

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate?
The IUPAC name of [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate (CID 161059212) is [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate.
What is the SMILES notation for [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate?
The canonical SMILES for [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate is CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C(C)C)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)C4CC4)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)CC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(=O)COC)c3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3cccc(NC(C)=O)c3)C(C)=O)cc2OC)cc1.
What is the InChIKey of [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate?
The InChIKey is UDECPIXOGWDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N2O7.C36H42N2O7.C36H44N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-7-8-9-10-11-21-45-30-18-16-27(17-19-30)35(42)46-32-20-15-26(23-33(32)44-6)22-31(25(2)40)39-34(41)28-13-12-14-29(24-28)38-36(43)37(3,4)5;1-4-5-6-7-8-20-44-30-17-15-27(16-18-30)36(42)45-32-19-12-25(22-33(32)43-3)21-31(24(2)39)38-35(41)28-10-9-11-29(23-28)37-34(40)26-13-14-26;1-6-7-8-9-10-20-44-30-17-15-27(16-18-30)36(42)45-32-19-14-26(22-33(32)43-5)21-31(25(4)39)38-35(41)28-12-11-13-29(23-28)37-34(40)24(2)3;1-5-6-7-8-9-19-44-29-16-14-26(15-17-29)35(41)45-31-18-13-25(21-32(31)43-4)20-30(24(2)38)37-34(40)27-11-10-12-28(22-27)36-33(39)23-42-3;1-5-7-8-9-10-20-43-29-17-15-26(16-18-29)35(41)44-31-19-14-25(22-32(31)42-4)21-30(24(3)38)37-34(40)27-12-11-13-28(23-27)36-33(39)6-2;1-5-6-7-8-9-19-42-29-16-14-26(15-17-29)34(40)43-31-18-13-25(21-32(31)41-4)20-30(23(2)37)36-33(39)27-11-10-12-28(22-27)35-24(3)38/h12-20,23-24,31H,7-11,21-22H2,1-6H3,(H,38,43)(H,39,41);9-12,15-19,22-23,26,31H,4-8,13-14,20-21H2,1-3H3,(H,37,40)(H,38,41);11-19,22-24,31H,6-10,20-21H2,1-5H3,(H,37,40)(H,38,41);10-18,21-22,30H,5-9,19-20,23H2,1-4H3,(H,36,39)(H,37,40);11-19,22-23,30H,5-10,20-21H2,1-4H3,(H,36,39)(H,37,40);10-18,21-22,30H,5-9,19-20H2,1-4H3,(H,35,38)(H,36,39).
What are the key properties of [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate?
[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate has a molecular weight of 3672.43 g/mol, XLogP of 38.98, 101 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[4-[2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[2-[[3-(2-methylpropanoylamino)benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate;[2-methoxy-4-[3-oxo-2-[[3-(propanoylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate is sourced from PubChem (CID 161059212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).