(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide

C34H34Cl2N2O2 — CID 100542809

IUPAC(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C34H34Cl2N2O2/c35-30-18-9-19-31(36)29(30)23-38(33(39)21-20-26-14-8-13-25-12-4-7-17-28(25)26)32(22-24-10-2-1-3-11-24)34(40)37-27-15-5-6-16-27/h1-4,7-14,17-19,27,32H,5-6,15-16,20-23H2,(H,37,40)/t32-/m1/s1
InChIKeyMUDCLHOERQKIQD-JGCGQSQUSA-N
MW573.56 g/mol
LogP7.78
Rot. Bonds10

About (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide

(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide (PubChem CID 100542809) has the molecular formula C34H34Cl2N2O2 and a molecular weight of 573.56 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
PubChem CID100542809
Molecular FormulaC34H34Cl2N2O2
Molecular Weight573.56 g/mol
Exact Mass572.20
IUPAC Name(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C34H34Cl2N2O2/c35-30-18-9-19-31(36)29(30)23-38(33(39)21-20-26-14-8-13-25-12-4-7-17-28(25)26)32(22-24-10-2-1-3-11-24)34(40)37-27-15-5-6-16-27/h1-4,7-14,17-19,27,32H,5-6,15-16,20-23H2,(H,37,40)/t32-/m1/s1
InChIKeyMUDCLHOERQKIQD-JGCGQSQUSA-N
XLogP7.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.56
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247810
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100542572
2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133261230
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247793
(2S)-2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594261
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133212553
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 100662131
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100541262
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100580217
(2R)-2-[3-benzylsulfanylpropanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100662458
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide
CID 100661458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide (CID 100542809) is (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide is O=C(NC1CCCC1)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide?
The InChIKey is MUDCLHOERQKIQD-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H34Cl2N2O2/c35-30-18-9-19-31(36)29(30)23-38(33(39)21-20-26-14-8-13-25-12-4-7-17-28(25)26)32(22-24-10-2-1-3-11-24)34(40)37-27-15-5-6-16-27/h1-4,7-14,17-19,27,32H,5-6,15-16,20-23H2,(H,37,40)/t32-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide?
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide has a molecular weight of 573.56 g/mol, XLogP of 7.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 100542809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).