N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide

C27H36N2O4 — CID 132613155

IUPACN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(CCC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C27H36N2O4/c1-20(27(31)28-23-11-7-8-12-23)29(18-17-21-9-5-4-6-10-21)26(30)16-14-22-13-15-24(32-2)25(19-22)33-3/h4-6,9-10,13,15,19-20,23H,7-8,11-12,14,16-18H2,1-3H3,(H,28,31)
InChIKeyCZELTYCXFUEZFO-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.16
Rot. Bonds11

About N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide

N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide (PubChem CID 132613155) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
PubChem CID132613155
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
SMILESCOc1ccc(CCC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C27H36N2O4/c1-20(27(31)28-23-11-7-8-12-23)29(18-17-21-9-5-4-6-10-21)26(30)16-14-22-13-15-24(32-2)25(19-22)33-3/h4-6,9-10,13,15,19-20,23H,7-8,11-12,14,16-18H2,1-3H3,(H,28,31)
InChIKeyCZELTYCXFUEZFO-UHFFFAOYSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
CID 132613158
(2R)-2-[benzyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 100527518
2-[(4-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentylpropanamide
CID 132615819
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100519886
N-cyclopentyl-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132623886
(2S)-N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100519441
(2S)-2-[(4-bromophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100527341
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
2-[(4-bromophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253395
(2R)-N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100512762
(2S)-N-cyclohexyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100620889

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide (CID 132613155) is N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide is COc1ccc(CCC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide?
The InChIKey is CZELTYCXFUEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-20(27(31)28-23-11-7-8-12-23)29(18-17-21-9-5-4-6-10-21)26(30)16-14-22-13-15-24(32-2)25(19-22)33-3/h4-6,9-10,13,15,19-20,23H,7-8,11-12,14,16-18H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide?
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide has a molecular weight of 452.60 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132613155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).