2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide

C15H20N4O2 — CID 168521609

IUPAC2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)CC#N
InChIInChI=1S/C15H20N4O2/c1-19(2)11-5-10-17-15(21)12-6-3-4-7-13(12)18-14(20)8-9-16/h3-4,6-7H,5,8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBAWPPIPQOVQBEA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.22
Rot. Bonds7

About 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide

2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 168521609) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
PubChem CID168521609
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccccc1NC(=O)CC#N
InChIInChI=1S/C15H20N4O2/c1-19(2)11-5-10-17-15(21)12-6-3-4-7-13(12)18-14(20)8-9-16/h3-4,6-7H,5,8,10-11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBAWPPIPQOVQBEA-UHFFFAOYSA-N
XLogP1.22
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690
2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 168521320
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
CID 45370530

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide (CID 168521609) is 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccccc1NC(=O)CC#N.
What is the InChIKey of 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is BAWPPIPQOVQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(2)11-5-10-17-15(21)12-6-3-4-7-13(12)18-14(20)8-9-16/h3-4,6-7H,5,8,10-11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide?
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 168521609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).