N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide

C14H29NO2 — CID 82987600

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-12(8-6-2)14(17)15-13(10-16)9-11(3)4/h11-13,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyKJDOCWQHRUERJF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds9

About N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide (PubChem CID 82987600) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
PubChem CID82987600
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H29NO2/c1-5-7-12(8-6-2)14(17)15-13(10-16)9-11(3)4/h11-13,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyKJDOCWQHRUERJF-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
N-(4-methylpentan-2-yl)-2-propylpentanamide
CID 173327827
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 65228765
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
CID 61246451
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
N-butan-2-yl-2-propylpentanamide
CID 115532227
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide (CID 82987600) is N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)NC(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide?
The InChIKey is KJDOCWQHRUERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-12(8-6-2)14(17)15-13(10-16)9-11(3)4/h11-13,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide is sourced from PubChem (CID 82987600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).