4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide

C12H17NO3 — CID 103956091

IUPAC4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCC(C)O)ccc1O
InChIInChI=1S/C12H17NO3/c1-8-7-10(3-4-11(8)15)12(16)13-6-5-9(2)14/h3-4,7,9,14-15H,5-6H2,1-2H3,(H,13,16)
InChIKeyVRKNEKSHPXXQKT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds4

About 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide

4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide (PubChem CID 103956091) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
PubChem CID103956091
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCC(C)O)ccc1O
InChIInChI=1S/C12H17NO3/c1-8-7-10(3-4-11(8)15)12(16)13-6-5-9(2)14/h3-4,7,9,14-15H,5-6H2,1-2H3,(H,13,16)
InChIKeyVRKNEKSHPXXQKT-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopentyl)-4-hydroxy-3-methylbenzamide
CID 107673205
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
N-(2-bromopropyl)-4-hydroxy-3-methylbenzamide
CID 107673076
N-(3-chloro-2-methylpropyl)-4-hydroxy-3-methylbenzamide
CID 107673039
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
4-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107675055
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(3-cyclopropylpropyl)-4-hydroxy-3-methylbenzamide
CID 103957172

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide (CID 103956091) is 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide is Cc1cc(C(=O)NCCC(C)O)ccc1O.
What is the InChIKey of 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide?
The InChIKey is VRKNEKSHPXXQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-10(3-4-11(8)15)12(16)13-6-5-9(2)14/h3-4,7,9,14-15H,5-6H2,1-2H3,(H,13,16).
What are the key properties of 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide?
4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxybutyl)-3-methylbenzamide is sourced from PubChem (CID 103956091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).