N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide

C14H18N2O2 — CID 43242605

IUPACN-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-4-11(2)14(17)16-12-5-7-13(8-6-12)18-10-9-15/h5-8,11H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyHNCUZMAJABCHGO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.96
Rot. Bonds6

About N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide

N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide (PubChem CID 43242605) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
PubChem CID43242605
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OCC#N)cc1
InChIInChI=1S/C14H18N2O2/c1-3-4-11(2)14(17)16-12-5-7-13(8-6-12)18-10-9-15/h5-8,11H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyHNCUZMAJABCHGO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
N-[4-(cyanomethoxy)phenyl]-2-methylsulfonylpropanamide
CID 112684914
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpentanamide
CID 134005594
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
2-[4-(heptan-4-ylamino)phenoxy]acetonitrile
CID 28653352
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
2-methyl-N-phenylpentanamide
CID 4627801
2-[4-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43129975
2-[4-(octan-2-ylamino)phenoxy]acetonitrile
CID 43129974
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide (CID 43242605) is N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(OCC#N)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide?
The InChIKey is HNCUZMAJABCHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-11(2)14(17)16-12-5-7-13(8-6-12)18-10-9-15/h5-8,11H,3-4,10H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide?
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide has a molecular weight of 246.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide is sourced from PubChem (CID 43242605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).