N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide

C13H25NO2 — CID 64869166

IUPACN-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-11(15)14-10-13(16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H,14,15)
InChIKeyFOVGVVDKJZEAJU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide

N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide (PubChem CID 64869166) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide
PubChem CID64869166
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-11(15)14-10-13(16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H,14,15)
InChIKeyFOVGVVDKJZEAJU-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide (CID 64869166) is N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is FOVGVVDKJZEAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)9-11(15)14-10-13(16)7-5-4-6-8-13/h16H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide?
N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 64869166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).