N-(1-cyano-3-methylbutyl)-3-phenylpropanamide

C15H20N2O — CID 112511365

IUPACN-(1-cyano-3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CC(C#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(2)10-14(11-16)17-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyFXILMOIRKJDVAB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds6

About N-(1-cyano-3-methylbutyl)-3-phenylpropanamide

N-(1-cyano-3-methylbutyl)-3-phenylpropanamide (PubChem CID 112511365) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylbutyl)-3-phenylpropanamide
PubChem CID112511365
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(1-cyano-3-methylbutyl)-3-phenylpropanamide
SMILESCC(C)CC(C#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C15H20N2O/c1-12(2)10-14(11-16)17-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyFXILMOIRKJDVAB-UHFFFAOYSA-N
XLogP2.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyano-3-methylbutyl)-3-phenylpropanamide 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

[3-methyl-1-(3-phenylpropanoylamino)butyl]boronic acid
CID 3744655
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-[(1R)-1-cyano-3-methylbutyl]-4-methylpentanamide
CID 95302946
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
N-(2-cyanopropyl)-3-phenylpropanamide
CID 62651466
2-(4-chlorophenyl)-N-[(1S)-1-cyano-3-methylbutyl]acetamide
CID 94694538
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide
CID 63930626
N-(1-cyano-3-methylbutyl)-2-(4-methoxyphenyl)acetamide
CID 112511596
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
N'-(1-cyano-3-methylbutyl)-2-methylpentanediamide
CID 18316717

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-3-phenylpropanamide?
The IUPAC name of N-(1-cyano-3-methylbutyl)-3-phenylpropanamide (CID 112511365) is N-(1-cyano-3-methylbutyl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-cyano-3-methylbutyl)-3-phenylpropanamide?
The canonical SMILES for N-(1-cyano-3-methylbutyl)-3-phenylpropanamide is CC(C)CC(C#N)NC(=O)CCc1ccccc1.
What is the InChIKey of N-(1-cyano-3-methylbutyl)-3-phenylpropanamide?
The InChIKey is FXILMOIRKJDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)10-14(11-16)17-15(18)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyano-3-methylbutyl)-3-phenylpropanamide?
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide has a molecular weight of 244.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylbutyl)-3-phenylpropanamide is sourced from PubChem (CID 112511365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).