N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide

C14H18N2O2 — CID 104848955

IUPACN-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-4-5-10(2)14(17)16-12-7-6-11(9-15)8-13(12)18-3/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyJUAFEGPFXFUQKP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.94
Rot. Bonds5

About N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide

N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide (PubChem CID 104848955) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
PubChem CID104848955
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O2/c1-4-5-10(2)14(17)16-12-7-6-11(9-15)8-13(12)18-3/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKeyJUAFEGPFXFUQKP-UHFFFAOYSA-N
XLogP2.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736
3-(4-cyano-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898981
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
3-amino-4-(4-cyano-2-methoxyanilino)-4-oxobutanoic acid
CID 104848810
(2S)-2-[(4-cyano-2-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828943
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
3-[(4-cyano-2-methoxyphenyl)carbamoylamino]pentanoic acid
CID 104849703
N-butyl-2-(4-cyano-2-methoxyanilino)propanamide
CID 104848711
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide (CID 104848955) is N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(C#N)cc1OC.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide?
The InChIKey is JUAFEGPFXFUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-5-10(2)14(17)16-12-7-6-11(9-15)8-13(12)18-3/h6-8,10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide?
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide has a molecular weight of 246.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 104848955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).