N-[3-(2-methylbutyl)cyclohexyl]acetamide

C13H25NO — CID 142366490

IUPACN-[3-(2-methylbutyl)cyclohexyl]acetamide
SMILESCCC(C)CC1CCCC(NC(C)=O)C1
InChIInChI=1S/C13H25NO/c1-4-10(2)8-12-6-5-7-13(9-12)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15)
InChIKeyPTXMDXVBXPUQJR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds4

About N-[3-(2-methylbutyl)cyclohexyl]acetamide

N-[3-(2-methylbutyl)cyclohexyl]acetamide (PubChem CID 142366490) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[3-(2-methylbutyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylbutyl)cyclohexyl]acetamide
PubChem CID142366490
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[3-(2-methylbutyl)cyclohexyl]acetamide
SMILESCCC(C)CC1CCCC(NC(C)=O)C1
InChIInChI=1S/C13H25NO/c1-4-10(2)8-12-6-5-7-13(9-12)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15)
InChIKeyPTXMDXVBXPUQJR-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(bromomethyl)cyclohexyl]acetamide
CID 130538222
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
1-ethyl-3-[(1R,3R)-3-(2-methylsulfanylpropyl)cyclohexyl]urea
CID 167076650
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427829
(2S)-2-amino-N-(3-aminocyclohexyl)propanamide;hydrochloride
CID 130616794

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbutyl)cyclohexyl]acetamide?
The IUPAC name of N-[3-(2-methylbutyl)cyclohexyl]acetamide (CID 142366490) is N-[3-(2-methylbutyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[3-(2-methylbutyl)cyclohexyl]acetamide?
The canonical SMILES for N-[3-(2-methylbutyl)cyclohexyl]acetamide is CCC(C)CC1CCCC(NC(C)=O)C1.
What is the InChIKey of N-[3-(2-methylbutyl)cyclohexyl]acetamide?
The InChIKey is PTXMDXVBXPUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-10(2)8-12-6-5-7-13(9-12)14-11(3)15/h10,12-13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(2-methylbutyl)cyclohexyl]acetamide?
N-[3-(2-methylbutyl)cyclohexyl]acetamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbutyl)cyclohexyl]acetamide is sourced from PubChem (CID 142366490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).