N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide

C13H16N2O2 — CID 107801603

IUPACN-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
SMILESCc1cccc(NC(=O)CCCCO)c1C#N
InChIInChI=1S/C13H16N2O2/c1-10-5-4-6-12(11(10)9-14)15-13(17)7-2-3-8-16/h4-6,16H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyZWWATXAPPGTWLL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.97
Rot. Bonds5

About N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide

N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide (PubChem CID 107801603) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
PubChem CID107801603
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyano-3-methylphenyl)-5-hydroxypentanamide
SMILESCc1cccc(NC(=O)CCCCO)c1C#N
InChIInChI=1S/C13H16N2O2/c1-10-5-4-6-12(11(10)9-14)15-13(17)7-2-3-8-16/h4-6,16H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyZWWATXAPPGTWLL-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
CID 113241608
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
2-[(2-cyano-3-methylphenyl)carbamoyl-methylamino]acetic acid
CID 114002681
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide (CID 107801603) is N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide is Cc1cccc(NC(=O)CCCCO)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide?
The InChIKey is ZWWATXAPPGTWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-5-4-6-12(11(10)9-14)15-13(17)7-2-3-8-16/h4-6,16H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide?
N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide has a molecular weight of 232.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 107801603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).