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

C13H16N2O2 — CID 103865446

IUPACN-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCCC#N
InChIInChI=1S/C13H16N2O2/c1-10-9-11(16)5-6-12(10)13(17)15-8-4-2-3-7-14/h5-6,9,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyGZMHTDHJLIKFPT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds5

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

N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide (PubChem CID 103865446) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
PubChem CID103865446
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCCC#N
InChIInChI=1S/C13H16N2O2/c1-10-9-11(16)5-6-12(10)13(17)15-8-4-2-3-7-14/h5-6,9,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyGZMHTDHJLIKFPT-UHFFFAOYSA-N
XLogP2.12
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
5-bromo-N-(4-cyanobutyl)-2-methylbenzamide
CID 65307660
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
N-(4-cyanobutyl)-2,3,4-trifluorobenzamide
CID 79749440
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide (CID 103865446) is N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is GZMHTDHJLIKFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-9-11(16)5-6-12(10)13(17)15-8-4-2-3-7-14/h5-6,9,16H,2-4,8H2,1H3,(H,15,17).
What are the key properties of N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide?
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).