N-(cyclohexylcarbamoyl)-3-methylbutanamide

C12H22N2O2 — CID 921345

IUPACN-(cyclohexylcarbamoyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)8-11(15)14-12(16)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYJZUDDCBIXWXKS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.19
Rot. Bonds3

About N-(cyclohexylcarbamoyl)-3-methylbutanamide

N-(cyclohexylcarbamoyl)-3-methylbutanamide (PubChem CID 921345) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-3-methylbutanamide
PubChem CID921345
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(cyclohexylcarbamoyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O2/c1-9(2)8-11(15)14-12(16)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYJZUDDCBIXWXKS-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-3-methylbutanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-3-methylbutanamide (CID 921345) is N-(cyclohexylcarbamoyl)-3-methylbutanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-3-methylbutanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-3-methylbutanamide is CC(C)CC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-3-methylbutanamide?
The InChIKey is YJZUDDCBIXWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)8-11(15)14-12(16)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(cyclohexylcarbamoyl)-3-methylbutanamide?
N-(cyclohexylcarbamoyl)-3-methylbutanamide has a molecular weight of 226.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-3-methylbutanamide is sourced from PubChem (CID 921345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).