N-[(3S)-3-methylcyclohexyl]acetamide

C9H17NO — CID 143244343

IUPACN-[(3S)-3-methylcyclohexyl]acetamide
SMILESCC(=O)NC1CCC[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(6-7)10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-,9?/m0/s1
InChIKeySHLOFFKQHDQUNH-JAVCKPHESA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds1

About N-[(3S)-3-methylcyclohexyl]acetamide

N-[(3S)-3-methylcyclohexyl]acetamide (PubChem CID 143244343) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-3-methylcyclohexyl]acetamide
PubChem CID143244343
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(3S)-3-methylcyclohexyl]acetamide
SMILESCC(=O)NC1CCC[C@H](C)C1
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(6-7)10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-,9?/m0/s1
InChIKeySHLOFFKQHDQUNH-JAVCKPHESA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
cis-(1S,3R)-3-methylcyclohexane-1-carboxylic acid;N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 158462495
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
(3-methylcyclohexyl)carbamic acid
CID 67410451
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of N-[(3S)-3-methylcyclohexyl]acetamide (CID 143244343) is N-[(3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[(3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for N-[(3S)-3-methylcyclohexyl]acetamide is CC(=O)NC1CCC[C@H](C)C1.
What is the InChIKey of N-[(3S)-3-methylcyclohexyl]acetamide?
The InChIKey is SHLOFFKQHDQUNH-JAVCKPHESA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-3-5-9(6-7)10-8(2)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-,9?/m0/s1.
What are the key properties of N-[(3S)-3-methylcyclohexyl]acetamide?
N-[(3S)-3-methylcyclohexyl]acetamide has a molecular weight of 155.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 143244343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).