N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide

C11H21NO2 — CID 115283457

IUPACN-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC(CCO)NC(=O)C1(C)CCCC1
InChIInChI=1S/C11H21NO2/c1-9(5-8-13)12-10(14)11(2)6-3-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyVCPGLHDLTQNIKZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds4

About N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide

N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide (PubChem CID 115283457) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
PubChem CID115283457
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
SMILESCC(CCO)NC(=O)C1(C)CCCC1
InChIInChI=1S/C11H21NO2/c1-9(5-8-13)12-10(14)11(2)6-3-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyVCPGLHDLTQNIKZ-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide (CID 115283457) is N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide is CC(CCO)NC(=O)C1(C)CCCC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is VCPGLHDLTQNIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(5-8-13)12-10(14)11(2)6-3-4-7-11/h9,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide?
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 115283457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).