(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide

C25H30Cl2N2O2 — CID 100506920

IUPAC(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
SMILESCc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H30Cl2N2O2/c1-17-9-6-7-10-19(17)15-24(30)29(16-21-22(26)13-8-14-23(21)27)18(2)25(31)28-20-11-4-3-5-12-20/h6-10,13-14,18,20H,3-5,11-12,15-16H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyNKMATYPFOVIWGR-GOSISDBHSA-N
MW461.43 g/mol
LogP5.71
Rot. Bonds7

About (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide

(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide (PubChem CID 100506920) has the molecular formula C25H30Cl2N2O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
PubChem CID100506920
Molecular FormulaC25H30Cl2N2O2
Molecular Weight461.43 g/mol
Exact Mass460.17
IUPAC Name(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
SMILESCc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H30Cl2N2O2/c1-17-9-6-7-10-19(17)15-24(30)29(16-21-22(26)13-8-14-23(21)27)18(2)25(31)28-20-11-4-3-5-12-20/h6-10,13-14,18,20H,3-5,11-12,15-16H2,1-2H3,(H,28,31)/t18-/m1/s1
InChIKeyNKMATYPFOVIWGR-GOSISDBHSA-N
XLogP5.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 132618279
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132614274
2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132617008
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 125057466
N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132627690
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505210
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132666573
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 100599616
2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132616992
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132625278
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125061791

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide (CID 100506920) is (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide is Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
The InChIKey is NKMATYPFOVIWGR-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30Cl2N2O2/c1-17-9-6-7-10-19(17)15-24(30)29(16-21-22(26)13-8-14-23(21)27)18(2)25(31)28-20-11-4-3-5-12-20/h6-10,13-14,18,20H,3-5,11-12,15-16H2,1-2H3,(H,28,31)/t18-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide?
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide has a molecular weight of 461.43 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 100506920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).