N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide

C16H24N4O — CID 63694009

IUPACN-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H24N4O/c1-19(2)10-6-11-20(3)12-9-16(21)18-15-8-5-4-7-14(15)13-17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,21)
InChIKeyQPJOCXBJWZYKRZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.77
Rot. Bonds8

About N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide

N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide (PubChem CID 63694009) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
PubChem CID63694009
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H24N4O/c1-19(2)10-6-11-20(3)12-9-16(21)18-15-8-5-4-7-14(15)13-17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,21)
InChIKeyQPJOCXBJWZYKRZ-UHFFFAOYSA-N
XLogP1.77
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide 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

N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943957
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide (CID 63694009) is N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide is CN(C)CCCN(C)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The InChIKey is QPJOCXBJWZYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)10-6-11-20(3)12-9-16(21)18-15-8-5-4-7-14(15)13-17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide?
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide is sourced from PubChem (CID 63694009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).