N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide

C15H27NO — CID 24832173

IUPACN-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12(17)16-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h13-15H,2-11H2,1H3,(H,16,17)/t14-,15+/m0/s1
InChIKeyMSNGKQAMRGJVCW-LSDHHAIUSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds3

About N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide

N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide (PubChem CID 24832173) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide
PubChem CID24832173
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide
SMILESCC(=O)N[C@@H]1CCC[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12(17)16-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h13-15H,2-11H2,1H3,(H,16,17)/t14-,15+/m0/s1
InChIKeyMSNGKQAMRGJVCW-LSDHHAIUSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide, (1S,2S,5R)-
CID 58004815
N,3-dicyclohexylpropanamide
CID 759108
N,2-dicyclohexylacetamide
CID 880907
N-(adamantan-2-yl)acetamide
CID 64498
N-(4-(Cyclohexylmethyl)cyclohexyl)acetamide
CID 98877
Acetamide, N-(4-hexyl-1-cyclohexyl)-
CID 38108
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
Cyclopropanecarboxylic acid (2-isopropyl-5-methyl-cyclohexyl)-amide, (1R,2R,5S)-
CID 59847877
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)acetamide
CID 297448
N-(2,3-dimethylcyclohexyl)-2-methylpropanamide
CID 45353039
N-(4-Methylcyclohexyl)acetamide
CID 286632

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide (CID 24832173) is N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide is CC(=O)N[C@@H]1CCC[C@@H](CC2CCCCC2)C1.
What is the InChIKey of N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide?
The InChIKey is MSNGKQAMRGJVCW-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(17)16-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h13-15H,2-11H2,1H3,(H,16,17)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide?
N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide has a molecular weight of 237.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 24832173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).