3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide

C14H20N4O — CID 109016336

IUPAC3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C14H20N4O/c1-18(2)10-9-17-14(19)7-8-16-13-5-3-12(11-15)4-6-13/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyJZEOLQUBBQLLFA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.04
Rot. Bonds7

About 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 109016336) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID109016336
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C14H20N4O/c1-18(2)10-9-17-14(19)7-8-16-13-5-3-12(11-15)4-6-13/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyJZEOLQUBBQLLFA-UHFFFAOYSA-N
XLogP1.04
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]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

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 109016336) is 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCNc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is JZEOLQUBBQLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(2)10-9-17-14(19)7-8-16-13-5-3-12(11-15)4-6-13/h3-6,16H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 109016336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).