N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide

C15H21NO — CID 826163

IUPACN-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H21NO/c1-11-5-3-4-6-15(11)13-7-9-14(10-8-13)16-12(2)17/h7-11,15H,3-6H2,1-2H3,(H,16,17)/t11-,15-/m0/s1
InChIKeyRIMRJCSXERWFIU-NHYWBVRUSA-N
MW231.34 g/mol
LogP3.94
Rot. Bonds2

About N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide

N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide (PubChem CID 826163) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
PubChem CID826163
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H21NO/c1-11-5-3-4-6-15(11)13-7-9-14(10-8-13)16-12(2)17/h7-11,15H,3-6H2,1-2H3,(H,16,17)/t11-,15-/m0/s1
InChIKeyRIMRJCSXERWFIU-NHYWBVRUSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-(2-methylcyclopentyl)benzoate
CID 138974575
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
N-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]acetamide
CID 90397286
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
6-(4-acetamidophenyl)-5-methylpiperidine-2-carboxylic acid
CID 16758877
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-acetamidophenyl)propanamide
CID 2583117
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-acetamido-N-cyclooctylbenzamide
CID 2990044
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(4-acetamidophenyl)-cyclohexylazanium chloride
CID 110179232
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide (CID 826163) is N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide is CC(=O)Nc1ccc([C@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide?
The InChIKey is RIMRJCSXERWFIU-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-3-4-6-15(11)13-7-9-14(10-8-13)16-12(2)17/h7-11,15H,3-6H2,1-2H3,(H,16,17)/t11-,15-/m0/s1.
What are the key properties of N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide?
N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide has a molecular weight of 231.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide is sourced from PubChem (CID 826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).