N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide

C14H18N2O2 — CID 113241608

IUPACN-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16-13-7-4-6-11(2)12(13)10-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyIUYWWENJKPPCAG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.62
Rot. Bonds6

About N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide

N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide (PubChem CID 113241608) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
PubChem CID113241608
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-cyano-3-methylphenyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16-13-7-4-6-11(2)12(13)10-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyIUYWWENJKPPCAG-UHFFFAOYSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
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)-5-hydroxypentanamide
CID 107801603
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
1-(2-cyano-3-methylphenyl)-3-ethylurea
CID 103710079
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
N-(2-cyano-3-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 107799235
N-(2-cyano-3-methylphenyl)-2-(prop-2-ynylamino)acetamide
CID 114003133
2-(2-aminophenoxy)-N-(2-cyano-3-methylphenyl)acetamide
CID 107802424
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide (CID 113241608) is N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cccc(C)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide?
The InChIKey is IUYWWENJKPPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-18-9-5-8-14(17)16-13-7-4-6-11(2)12(13)10-15/h4,6-7H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide?
N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-4-ethoxybutanamide is sourced from PubChem (CID 113241608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).