N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide

C11H21NO2 — CID 71787566

IUPACN-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(13)6-7-12-10(14)8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyHZHLEYXRYDZLIS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide

N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide (PubChem CID 71787566) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
PubChem CID71787566
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)9(13)6-7-12-10(14)8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKeyHZHLEYXRYDZLIS-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide 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-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide (CID 71787566) is N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide is CC(C)(C)C(O)CCNC(=O)C1CC1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide?
The InChIKey is HZHLEYXRYDZLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)9(13)6-7-12-10(14)8-4-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide?
N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide is sourced from PubChem (CID 71787566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).