2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide

C38H48N6O7 — CID 176631104

IUPAC2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide
SMILESCOc1ccc(CN(CC(=O)N(CC(N)=O)Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CN(C(=O)CN)C2CCCC2)cc1OC
InChIInChI=1S/C38H48N6O7/c1-50-32-18-17-30(19-33(32)51-2)23-43(25-36(47)41(24-34(40)45)21-28-11-5-3-6-12-28)37(48)26-42(22-29-13-7-4-8-14-29)38(49)27-44(35(46)20-39)31-15-9-10-16-31/h3-8,11-14,17-19,31H,9-10,15-16,20-27,39H2,1-2H3,(H2,40,45)
InChIKeyUMSUIOMRXULAHQ-UHFFFAOYSA-N
MW700.84 g/mol
LogP2.31
Rot. Bonds18

About 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide

2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide (PubChem CID 176631104) has the molecular formula C38H48N6O7 and a molecular weight of 700.84 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide
PubChem CID176631104
Molecular FormulaC38H48N6O7
Molecular Weight700.84 g/mol
Exact Mass700.36
IUPAC Name2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide
SMILESCOc1ccc(CN(CC(=O)N(CC(N)=O)Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CN(C(=O)CN)C2CCCC2)cc1OC
InChIInChI=1S/C38H48N6O7/c1-50-32-18-17-30(19-33(32)51-2)23-43(25-36(47)41(24-34(40)45)21-28-11-5-3-6-12-28)37(48)26-42(22-29-13-7-4-8-14-29)38(49)27-44(35(46)20-39)31-15-9-10-16-31/h3-8,11-14,17-19,31H,9-10,15-16,20-27,39H2,1-2H3,(H2,40,45)
InChIKeyUMSUIOMRXULAHQ-UHFFFAOYSA-N
XLogP2.31
TPSA168.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.84
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide with MolForge

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Related Compounds

2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-benzyl-2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4003923
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 1059680
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
2-[4-[[cyclohexyl-[2-(2-nitrophenoxy)acetyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 23096806
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
CID 19630167
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 3682572
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 3496002

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide?
The IUPAC name of 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide (CID 176631104) is 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide is COc1ccc(CN(CC(=O)N(CC(N)=O)Cc2ccccc2)C(=O)CN(Cc2ccccc2)C(=O)CN(C(=O)CN)C2CCCC2)cc1OC.
What is the InChIKey of 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide?
The InChIKey is UMSUIOMRXULAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N6O7/c1-50-32-18-17-30(19-33(32)51-2)23-43(25-36(47)41(24-34(40)45)21-28-11-5-3-6-12-28)37(48)26-42(22-29-13-7-4-8-14-29)38(49)27-44(35(46)20-39)31-15-9-10-16-31/h3-8,11-14,17-19,31H,9-10,15-16,20-27,39H2,1-2H3,(H2,40,45).
What are the key properties of 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide?
2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide has a molecular weight of 700.84 g/mol, XLogP of 2.31, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-cyclopentylacetamide is sourced from PubChem (CID 176631104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).