N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide

C13H16N2O2 — CID 103865389

IUPACN-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
SMILESCCCC(C#N)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C13H16N2O2/c1-3-4-10(8-14)15-13(17)12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyCGDNDMVVKDQYBE-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds4

About N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide

N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide (PubChem CID 103865389) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
PubChem CID103865389
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
SMILESCCCC(C#N)NC(=O)c1ccc(O)cc1C
InChIInChI=1S/C13H16N2O2/c1-3-4-10(8-14)15-13(17)12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyCGDNDMVVKDQYBE-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-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
N-(1-cyanobutyl)-2,4-difluoro-5-methylbenzamide
CID 113249764
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
4-amino-N-hex-1-yn-3-yl-2-methylbenzamide
CID 106223497
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
2-[(4-hydroxy-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 107670694
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide (CID 103865389) is N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide is CCCC(C#N)NC(=O)c1ccc(O)cc1C.
What is the InChIKey of N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is CGDNDMVVKDQYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-10(8-14)15-13(17)12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide?
N-(1-cyanobutyl)-4-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)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).