2-[4-(3-methylpentyl)cyclohexyl]acetamide

C14H27NO — CID 118946939

IUPAC2-[4-(3-methylpentyl)cyclohexyl]acetamide
SMILESCCC(C)CCC1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H27NO/c1-3-11(2)4-5-12-6-8-13(9-7-12)10-14(15)16/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyAJSPPJJWRSOIPP-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-(3-methylpentyl)cyclohexyl]acetamide

2-[4-(3-methylpentyl)cyclohexyl]acetamide (PubChem CID 118946939) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[4-(3-methylpentyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methylpentyl)cyclohexyl]acetamide
PubChem CID118946939
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[4-(3-methylpentyl)cyclohexyl]acetamide
SMILESCCC(C)CCC1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H27NO/c1-3-11(2)4-5-12-6-8-13(9-7-12)10-14(15)16/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyAJSPPJJWRSOIPP-UHFFFAOYSA-N
XLogP3.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylpentyl)cyclohexyl]acetamide?
The IUPAC name of 2-[4-(3-methylpentyl)cyclohexyl]acetamide (CID 118946939) is 2-[4-(3-methylpentyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-(3-methylpentyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[4-(3-methylpentyl)cyclohexyl]acetamide is CCC(C)CCC1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(3-methylpentyl)cyclohexyl]acetamide?
The InChIKey is AJSPPJJWRSOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11(2)4-5-12-6-8-13(9-7-12)10-14(15)16/h11-13H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-[4-(3-methylpentyl)cyclohexyl]acetamide?
2-[4-(3-methylpentyl)cyclohexyl]acetamide has a molecular weight of 225.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylpentyl)cyclohexyl]acetamide is sourced from PubChem (CID 118946939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).