N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide

C13H16N2O2 — CID 82829779

IUPACN-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
SMILESCCCC(C#N)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H16N2O2/c1-3-5-10(8-14)15-13(17)11-6-4-7-12(16)9(11)2/h4,6-7,10,16H,3,5H2,1-2H3,(H,15,17)
InChIKeyAPCPZEQEOVVGRT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds4

About N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide

N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide (PubChem CID 82829779) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
PubChem CID82829779
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
SMILESCCCC(C#N)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H16N2O2/c1-3-5-10(8-14)15-13(17)11-6-4-7-12(16)9(11)2/h4,6-7,10,16H,3,5H2,1-2H3,(H,15,17)
InChIKeyAPCPZEQEOVVGRT-UHFFFAOYSA-N
XLogP2.12
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
N-(1-cyanobutyl)-2,6-dimethoxybenzamide
CID 61120301
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
3-chloro-N-(1-cyanobutyl)pyridine-4-carboxamide
CID 66462809
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
N-(1-cyanobutyl)-3-methylsulfonylbenzamide
CID 61121684
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide (CID 82829779) is N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide is CCCC(C#N)NC(=O)c1cccc(O)c1C.
What is the InChIKey of N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is APCPZEQEOVVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-5-10(8-14)15-13(17)11-6-4-7-12(16)9(11)2/h4,6-7,10,16H,3,5H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide?
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).