ethane;N-(3-methylcyclohexyl)acetamide

C11H23NO — CID 156753874

IUPACethane;N-(3-methylcyclohexyl)acetamide
SMILESCC.CC(=O)NC1CCCC(C)C1
InChIInChI=1S/C9H17NO.C2H6/c1-7-4-3-5-9(6-7)10-8(2)11;1-2/h7,9H,3-6H2,1-2H3,(H,10,11);1-2H3
InChIKeyIFZRVAYHGQQJAH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.73
Rot. Bonds1

About ethane;N-(3-methylcyclohexyl)acetamide

ethane;N-(3-methylcyclohexyl)acetamide (PubChem CID 156753874) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Nameethane;N-(3-methylcyclohexyl)acetamide
PubChem CID156753874
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;N-(3-methylcyclohexyl)acetamide
SMILESCC.CC(=O)NC1CCCC(C)C1
InChIInChI=1S/C9H17NO.C2H6/c1-7-4-3-5-9(6-7)10-8(2)11;1-2/h7,9H,3-6H2,1-2H3,(H,10,11);1-2H3
InChIKeyIFZRVAYHGQQJAH-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
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
N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylcyclohexyl)acetamide?
The IUPAC name of ethane;N-(3-methylcyclohexyl)acetamide (CID 156753874) is ethane;N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for ethane;N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for ethane;N-(3-methylcyclohexyl)acetamide is CC.CC(=O)NC1CCCC(C)C1.
What is the InChIKey of ethane;N-(3-methylcyclohexyl)acetamide?
The InChIKey is IFZRVAYHGQQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-7-4-3-5-9(6-7)10-8(2)11;1-2/h7,9H,3-6H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-(3-methylcyclohexyl)acetamide?
ethane;N-(3-methylcyclohexyl)acetamide has a molecular weight of 185.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 156753874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).