N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide

C16H25NO3 — CID 115767414

IUPACN-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
SMILESCCC(CCO)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-15(9-10-18)17-16(19)14-7-5-13(6-8-14)11-20-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyOICPMIFPWWJLGZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.50
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide

N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 115767414) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID115767414
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
SMILESCCC(CCO)NC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-15(9-10-18)17-16(19)14-7-5-13(6-8-14)11-20-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyOICPMIFPWWJLGZ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide 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

N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
CID 120547120
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
CID 109479295
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide (CID 115767414) is N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide is CCC(CCO)NC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is OICPMIFPWWJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-15(9-10-18)17-16(19)14-7-5-13(6-8-14)11-20-12(2)3/h5-8,12,15,18H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide?
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 115767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).