N-hexan-3-yl-3-hydroxy-4-methoxybenzamide

C14H21NO3 — CID 79672456

IUPACN-hexan-3-yl-3-hydroxy-4-methoxybenzamide
SMILESCCCC(CC)NC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H21NO3/c1-4-6-11(5-2)15-14(17)10-7-8-13(18-3)12(16)9-10/h7-9,11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyXDASEQIUEXICJR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.71
Rot. Bonds6

About N-hexan-3-yl-3-hydroxy-4-methoxybenzamide

N-hexan-3-yl-3-hydroxy-4-methoxybenzamide (PubChem CID 79672456) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-hexan-3-yl-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-hexan-3-yl-3-hydroxy-4-methoxybenzamide
PubChem CID79672456
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-hexan-3-yl-3-hydroxy-4-methoxybenzamide
SMILESCCCC(CC)NC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C14H21NO3/c1-4-6-11(5-2)15-14(17)10-7-8-13(18-3)12(16)9-10/h7-9,11,16H,4-6H2,1-3H3,(H,15,17)
InChIKeyXDASEQIUEXICJR-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-hexan-3-yl-3-hydroxy-4-methoxybenzamide 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-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]hexanoic acid
CID 107144546
3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
N-(1-bromopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 113496391
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-hexan-3-yl-3-hydroxy-4-methoxybenzamide (CID 79672456) is N-hexan-3-yl-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-hexan-3-yl-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-hexan-3-yl-3-hydroxy-4-methoxybenzamide is CCCC(CC)NC(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-hexan-3-yl-3-hydroxy-4-methoxybenzamide?
The InChIKey is XDASEQIUEXICJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-11(5-2)15-14(17)10-7-8-13(18-3)12(16)9-10/h7-9,11,16H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-hexan-3-yl-3-hydroxy-4-methoxybenzamide?
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79672456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).