N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide

C33H38Cl2N2O2 — CID 133212553

IUPACN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C33H38Cl2N2O2/c1-2-24-16-18-25(19-17-24)20-21-32(38)37(23-28-29(34)14-9-15-30(28)35)31(22-26-10-5-3-6-11-26)33(39)36-27-12-7-4-8-13-27/h3,5-6,9-11,14-19,27,31H,2,4,7-8,12-13,20-23H2,1H3,(H,36,39)
InChIKeyPGFQHEYVUYATFA-UHFFFAOYSA-N
MW565.59 g/mol
LogP7.58
Rot. Bonds11

About N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide

N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide (PubChem CID 133212553) has the molecular formula C33H38Cl2N2O2 and a molecular weight of 565.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
PubChem CID133212553
Molecular FormulaC33H38Cl2N2O2
Molecular Weight565.59 g/mol
Exact Mass564.23
IUPAC NameN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C33H38Cl2N2O2/c1-2-24-16-18-25(19-17-24)20-21-32(38)37(23-28-29(34)14-9-15-30(28)35)31(22-26-10-5-3-6-11-26)33(39)36-27-12-7-4-8-13-27/h3,5-6,9-11,14-19,27,31H,2,4,7-8,12-13,20-23H2,1H3,(H,36,39)
InChIKeyPGFQHEYVUYATFA-UHFFFAOYSA-N
XLogP7.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.59
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100541262
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2,6-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
2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133154001
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 100542809
N-butyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133204441
2-[(4-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133249785
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594100
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133212429
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247720
(2R)-2-[benzyl(3-phenylpropanoyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571887
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 100650143

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide?
The IUPAC name of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide (CID 133212553) is N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide is CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide?
The InChIKey is PGFQHEYVUYATFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38Cl2N2O2/c1-2-24-16-18-25(19-17-24)20-21-32(38)37(23-28-29(34)14-9-15-30(28)35)31(22-26-10-5-3-6-11-26)33(39)36-27-12-7-4-8-13-27/h3,5-6,9-11,14-19,27,31H,2,4,7-8,12-13,20-23H2,1H3,(H,36,39).
What are the key properties of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide?
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide has a molecular weight of 565.59 g/mol, XLogP of 7.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).