N-(3-ethylpentan-3-yl)-3-hydroxybenzamide

C14H21NO2 — CID 65041341

IUPACN-(3-ethylpentan-3-yl)-3-hydroxybenzamide
SMILESCCC(CC)(CC)NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-4-14(5-2,6-3)15-13(17)11-8-7-9-12(16)10-11/h7-10,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyRCKAYGBPNUTWKK-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.09
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-3-hydroxybenzamide

N-(3-ethylpentan-3-yl)-3-hydroxybenzamide (PubChem CID 65041341) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-3-hydroxybenzamide
PubChem CID65041341
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-ethylpentan-3-yl)-3-hydroxybenzamide
SMILESCCC(CC)(CC)NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO2/c1-4-14(5-2,6-3)15-13(17)11-8-7-9-12(16)10-11/h7-10,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyRCKAYGBPNUTWKK-UHFFFAOYSA-N
XLogP3.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylpentan-3-yl)-3-hydroxybenzamide 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-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methylbenzamide
CID 107868007
3-bromo-N-[3-(chloromethyl)pentan-3-yl]benzamide
CID 114304614
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
CID 103604607
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-acetyl-3-hydroxybenzamide
CID 130011909
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-3-hydroxybenzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-3-hydroxybenzamide (CID 65041341) is N-(3-ethylpentan-3-yl)-3-hydroxybenzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-3-hydroxybenzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-3-hydroxybenzamide is CCC(CC)(CC)NC(=O)c1cccc(O)c1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-3-hydroxybenzamide?
The InChIKey is RCKAYGBPNUTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-14(5-2,6-3)15-13(17)11-8-7-9-12(16)10-11/h7-10,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-(3-ethylpentan-3-yl)-3-hydroxybenzamide?
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-3-hydroxybenzamide is sourced from PubChem (CID 65041341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).