N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide

C28H36Cl2N2O4 — CID 132624430

IUPACN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
SMILESCCOc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C28H36Cl2N2O4/c1-4-35-25-14-11-20(17-26(25)36-5-2)12-15-27(33)32(18-21-10-13-23(29)24(30)16-21)19(3)28(34)31-22-8-6-7-9-22/h10-11,13-14,16-17,19,22H,4-9,12,15,18H2,1-3H3,(H,31,34)
InChIKeyNUDZLVGBDNQZPN-UHFFFAOYSA-N
MW535.51 g/mol
LogP6.20
Rot. Bonds12

About N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide

N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide (PubChem CID 132624430) has the molecular formula C28H36Cl2N2O4 and a molecular weight of 535.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
PubChem CID132624430
Molecular FormulaC28H36Cl2N2O4
Molecular Weight535.51 g/mol
Exact Mass534.21
IUPAC NameN-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
SMILESCCOc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C28H36Cl2N2O4/c1-4-35-25-14-11-20(17-26(25)36-5-2)12-15-27(33)32(18-21-10-13-23(29)24(30)16-21)19(3)28(34)31-22-8-6-7-9-22/h10-11,13-14,16-17,19,22H,4-9,12,15,18H2,1-3H3,(H,31,34)
InChIKeyNUDZLVGBDNQZPN-UHFFFAOYSA-N
XLogP6.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 100552891
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132616163
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505851
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505860
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100589664
2-[(3-bromophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 133175200
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100500438
2-[(4-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclopentylbutanamide
CID 132621358
2-[(4-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentylpropanamide
CID 132615819
2-[(3-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248113
N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132621611
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132618963

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide (CID 132624430) is N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide is CCOc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)C(C)C(=O)NC2CCCC2)cc1OCC.
What is the InChIKey of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide?
The InChIKey is NUDZLVGBDNQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N2O4/c1-4-35-25-14-11-20(17-26(25)36-5-2)12-15-27(33)32(18-21-10-13-23(29)24(30)16-21)19(3)28(34)31-22-8-6-7-9-22/h10-11,13-14,16-17,19,22H,4-9,12,15,18H2,1-3H3,(H,31,34).
What are the key properties of N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide?
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide has a molecular weight of 535.51 g/mol, XLogP of 6.20, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 132624430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).