N-[(1R,3R)-3-phenylcyclohexyl]acetamide

C14H19NO — CID 102139469

IUPACN-[(1R,3R)-3-phenylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-11(16)15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,15,16)/t13-,14-/m1/s1
InChIKeyNGJGRZHJAQFLFC-ZIAGYGMSSA-N
MW217.31 g/mol
LogP2.85
Rot. Bonds2

About N-[(1R,3R)-3-phenylcyclohexyl]acetamide

N-[(1R,3R)-3-phenylcyclohexyl]acetamide (PubChem CID 102139469) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(1R,3R)-3-phenylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-phenylcyclohexyl]acetamide
PubChem CID102139469
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(1R,3R)-3-phenylcyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-11(16)15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,15,16)/t13-,14-/m1/s1
InChIKeyNGJGRZHJAQFLFC-ZIAGYGMSSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-(3-phenylcyclohexyl)urea
CID 19935050
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
tert-butyl (1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019365
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-phenylcyclohexyl]acetamide?
The IUPAC name of N-[(1R,3R)-3-phenylcyclohexyl]acetamide (CID 102139469) is N-[(1R,3R)-3-phenylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,3R)-3-phenylcyclohexyl]acetamide?
The canonical SMILES for N-[(1R,3R)-3-phenylcyclohexyl]acetamide is CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[(1R,3R)-3-phenylcyclohexyl]acetamide?
The InChIKey is NGJGRZHJAQFLFC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(16)15-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,15,16)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,3R)-3-phenylcyclohexyl]acetamide?
N-[(1R,3R)-3-phenylcyclohexyl]acetamide has a molecular weight of 217.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-phenylcyclohexyl]acetamide is sourced from PubChem (CID 102139469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).