N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide

C13H17N3O — CID 62982673

IUPACN-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-15-8-4-7-13(17)16(2)12-6-3-5-11(9-12)10-14/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyQFZGAHBSARLVLT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.52
Rot. Bonds5

About N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide

N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide (PubChem CID 62982673) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
PubChem CID62982673
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C13H17N3O/c1-15-8-4-7-13(17)16(2)12-6-3-5-11(9-12)10-14/h3,5-6,9,15H,4,7-8H2,1-2H3
InChIKeyQFZGAHBSARLVLT-UHFFFAOYSA-N
XLogP1.52
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide 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

5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
3-[[(3-cyanophenyl)-methylcarbamoyl]-methylamino]propanoic acid
CID 62981867
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
N-(3-cyanophenyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62982489
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide (CID 62982673) is N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide?
The InChIKey is QFZGAHBSARLVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15-8-4-7-13(17)16(2)12-6-3-5-11(9-12)10-14/h3,5-6,9,15H,4,7-8H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide?
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide has a molecular weight of 231.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 62982673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).