[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

C217H256N12O45 — CID 159830484

IUPAC[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
SMILESCCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CCC(=O)OC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)COC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(C)=O)cc3)C(C)=O)cc2OC)cc1
InChIInChI=1S/C39H42N2O7.C37H44N2O9.C37H46N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-4-5-6-7-11-24-47-33-21-17-31(18-22-33)39(45)48-35-23-14-28(26-36(35)46-3)25-34(27(2)42)41-38(44)30-15-19-32(20-16-30)40-37(43)29-12-9-8-10-13-29;1-5-6-7-8-9-22-47-30-17-13-28(14-18-30)37(44)48-32-19-10-26(24-33(32)45-3)23-31(25(2)40)39-36(43)27-11-15-29(16-12-27)38-34(41)20-21-35(42)46-4;1-7-8-9-10-11-22-45-30-19-15-28(16-20-30)35(42)46-32-21-12-26(24-33(32)44-6)23-31(25(2)40)39-34(41)27-13-17-29(18-14-27)38-36(43)37(3,4)5;1-5-6-7-8-9-20-44-29-17-13-27(14-18-29)35(41)45-31-19-10-25(22-32(31)43-4)21-30(24(2)38)37-34(40)26-11-15-28(16-12-26)36-33(39)23-42-3;1-5-7-8-9-10-21-43-29-18-14-27(15-19-29)35(41)44-31-20-11-25(23-32(31)42-4)22-30(24(3)38)37-34(40)26-12-16-28(17-13-26)36-33(39)6-2;1-5-6-7-8-9-20-42-29-17-13-27(14-18-29)34(40)43-31-19-10-25(22-32(31)41-4)21-30(23(2)37)36-33(39)26-11-15-28(16-12-26)35-24(3)38/h8-10,12-23,26,34H,4-7,11,24-25H2,1-3H3,(H,40,43)(H,41,44);10-19,24,31H,5-9,20-23H2,1-4H3,(H,38,41)(H,39,43);12-21,24,31H,7-11,22-23H2,1-6H3,(H,38,43)(H,39,41);10-19,22,30H,5-9,20-21,23H2,1-4H3,(H,36,39)(H,37,40);11-20,23,30H,5-10,21-22H2,1-4H3,(H,36,39)(H,37,40);10-19,22,30H,5-9,20-21H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyNNJZTBGGFMTVNJ-UHFFFAOYSA-N
MW3752.47 g/mol
LogP39.18
Rot. Bonds103

About [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

[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 (PubChem CID 159830484) has the molecular formula C217H256N12O45 and a molecular weight of 3752.47 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID159830484
Molecular FormulaC217H256N12O45
Molecular Weight3752.47 g/mol
Exact Mass3749.81
IUPAC Name[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
SMILESCCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CCC(=O)OC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)COC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(C)=O)cc3)C(C)=O)cc2OC)cc1
InChIInChI=1S/C39H42N2O7.C37H44N2O9.C37H46N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-4-5-6-7-11-24-47-33-21-17-31(18-22-33)39(45)48-35-23-14-28(26-36(35)46-3)25-34(27(2)42)41-38(44)30-15-19-32(20-16-30)40-37(43)29-12-9-8-10-13-29;1-5-6-7-8-9-22-47-30-17-13-28(14-18-30)37(44)48-32-19-10-26(24-33(32)45-3)23-31(25(2)40)39-36(43)27-11-15-29(16-12-27)38-34(41)20-21-35(42)46-4;1-7-8-9-10-11-22-45-30-19-15-28(16-20-30)35(42)46-32-21-12-26(24-33(32)44-6)23-31(25(2)40)39-34(41)27-13-17-29(18-14-27)38-36(43)37(3,4)5;1-5-6-7-8-9-20-44-29-17-13-27(14-18-29)35(41)45-31-19-10-25(22-32(31)43-4)21-30(24(2)38)37-34(40)26-11-15-28(16-12-26)36-33(39)23-42-3;1-5-7-8-9-10-21-43-29-18-14-27(15-19-29)35(41)44-31-20-11-25(23-32(31)42-4)22-30(24(3)38)37-34(40)26-12-16-28(17-13-26)36-33(39)6-2;1-5-6-7-8-9-20-42-29-17-13-27(14-18-29)34(40)43-31-19-10-25(22-32(31)41-4)21-30(23(2)37)36-33(39)26-11-15-28(16-12-26)35-24(3)38/h8-10,12-23,26,34H,4-7,11,24-25H2,1-3H3,(H,40,43)(H,41,44);10-19,24,31H,5-9,20-23H2,1-4H3,(H,38,41)(H,39,43);12-21,24,31H,7-11,22-23H2,1-6H3,(H,38,43)(H,39,41);10-19,22,30H,5-9,20-21,23H2,1-4H3,(H,36,39)(H,37,40);11-20,23,30H,5-10,21-22H2,1-4H3,(H,36,39)(H,37,40);10-19,22,30H,5-9,20-21H2,1-4H3,(H,35,38)(H,36,39)
InChIKeyNNJZTBGGFMTVNJ-UHFFFAOYSA-N
XLogP39.18
TPSA755.71 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds103
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003752.47
LogP ≤ 539.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

[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
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[4-[(2-phenoxyacetyl)amino]benzoyl]amino]propanoic acid
CID 58546067
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]propanoic acid
CID 58546109
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[3-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid
CID 58546075
[4-[2-[(3-acetamidobenzoyl)amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate
CID 58545756
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-[2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate
CID 58545994
[4-[2-[[4-[(2,5-dimethylfuran-3-carbonyl)amino]benzoyl]amino]-3-oxobutyl]-2-methoxyphenyl] 4-heptoxybenzoate
CID 58545604
[2-methoxy-4-[3-oxo-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]butyl]phenyl] 4-heptoxybenzoate
CID 58545794
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[[4-[[(2R)-2-methoxy-2-phenylacetyl]amino]benzoyl]amino]propanoic acid
CID 54765070
3-[4-(4-heptoxybenzoyl)oxy-3-methoxyphenyl]-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 54764892

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)CCC(=O)OC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)COC)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)C(C)=O)cc2OC)cc1.CCCCCCCOc1ccc(C(=O)Oc2ccc(CC(NC(=O)c3ccc(NC(C)=O)cc3)C(C)=O)cc2OC)cc1.
What is the InChIKey of [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?
The InChIKey is NNJZTBGGFMTVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2O7.C37H44N2O9.C37H46N2O7.C35H42N2O8.C35H42N2O7.C34H40N2O7/c1-4-5-6-7-11-24-47-33-21-17-31(18-22-33)39(45)48-35-23-14-28(26-36(35)46-3)25-34(27(2)42)41-38(44)30-15-19-32(20-16-30)40-37(43)29-12-9-8-10-13-29;1-5-6-7-8-9-22-47-30-17-13-28(14-18-30)37(44)48-32-19-10-26(24-33(32)45-3)23-31(25(2)40)39-36(43)27-11-15-29(16-12-27)38-34(41)20-21-35(42)46-4;1-7-8-9-10-11-22-45-30-19-15-28(16-20-30)35(42)46-32-21-12-26(24-33(32)44-6)23-31(25(2)40)39-34(41)27-13-17-29(18-14-27)38-36(43)37(3,4)5;1-5-6-7-8-9-20-44-29-17-13-27(14-18-29)35(41)45-31-19-10-25(22-32(31)43-4)21-30(24(2)38)37-34(40)26-11-15-28(16-12-26)36-33(39)23-42-3;1-5-7-8-9-10-21-43-29-18-14-27(15-19-29)35(41)44-31-20-11-25(23-32(31)42-4)22-30(24(3)38)37-34(40)26-12-16-28(17-13-26)36-33(39)6-2;1-5-6-7-8-9-20-42-29-17-13-27(14-18-29)34(40)43-31-19-10-25(22-32(31)41-4)21-30(23(2)37)36-33(39)26-11-15-28(16-12-26)35-24(3)38/h8-10,12-23,26,34H,4-7,11,24-25H2,1-3H3,(H,40,43)(H,41,44);10-19,24,31H,5-9,20-23H2,1-4H3,(H,38,41)(H,39,43);12-21,24,31H,7-11,22-23H2,1-6H3,(H,38,43)(H,39,41);10-19,22,30H,5-9,20-21,23H2,1-4H3,(H,36,39)(H,37,40);11-20,23,30H,5-10,21-22H2,1-4H3,(H,36,39)(H,37,40);10-19,22,30H,5-9,20-21H2,1-4H3,(H,35,38)(H,36,39).
What are the key properties of [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?
[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 has a molecular weight of 3752.47 g/mol, XLogP of 39.18, 103 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 159830484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).