N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide

C18H24ClNO2 — CID 99793411

IUPACN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC1CCC(=O)CC1
InChIInChI=1S/C18H24ClNO2/c1-13(11-14-3-7-16(19)8-4-14)20(2)18(22)12-15-5-9-17(21)10-6-15/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyCFSJSMAXLVSDRA-ZDUSSCGKSA-N
MW321.85 g/mol
LogP3.88
Rot. Bonds5

About N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide

N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide (PubChem CID 99793411) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
PubChem CID99793411
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC NameN-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
SMILESC[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC1CCC(=O)CC1
InChIInChI=1S/C18H24ClNO2/c1-13(11-14-3-7-16(19)8-4-14)20(2)18(22)12-15-5-9-17(21)10-6-15/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyCFSJSMAXLVSDRA-ZDUSSCGKSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795542
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
2-(cyclopropylmethylamino)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119795541
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
1-(4-chlorophenyl)-N-methyl-N-(piperidin-4-ylmethyl)propan-2-amine
CID 103815876
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
CID 56793654
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 4830873
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide?
The IUPAC name of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide (CID 99793411) is N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide.
What is the SMILES notation for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide?
The canonical SMILES for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide is C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CC1CCC(=O)CC1.
What is the InChIKey of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide?
The InChIKey is CFSJSMAXLVSDRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-13(11-14-3-7-16(19)8-4-14)20(2)18(22)12-15-5-9-17(21)10-6-15/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide?
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide has a molecular weight of 321.85 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide is sourced from PubChem (CID 99793411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).