(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide

C19H18N4O2 — CID 56696194

IUPAC(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\NCc1ccccc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-11-17(14-21-12-15-7-3-1-4-8-15)18(24)23-19(25)22-13-16-9-5-2-6-10-16/h1-10,14,21H,12-13H2,(H2,22,23,24,25)/b17-14+
InChIKeyHPLUXDWLOSDRMA-SAPNQHFASA-N
MW334.38 g/mol
LogP2.21
Rot. Bonds6

About (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide

(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide (PubChem CID 56696194) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
PubChem CID56696194
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\NCc1ccccc1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H18N4O2/c20-11-17(14-21-12-15-7-3-1-4-8-15)18(24)23-19(25)22-13-16-9-5-2-6-10-16/h1-10,14,21H,12-13H2,(H2,22,23,24,25)/b17-14+
InChIKeyHPLUXDWLOSDRMA-SAPNQHFASA-N
XLogP2.21
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide 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-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-3-(benzylamino)-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855171
(Z)-3-(benzylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835467
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)prop-2-enamide
CID 108835102
(Z)-3-(benzylamino)-N-(3-butoxypropyl)-2-cyanoprop-2-enamide
CID 108836959
(Z)-3-(benzylamino)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 108820967
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108842235
3-[[(Z)-3-(benzylamino)-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108816120
(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide
CID 108842121
(Z)-N-benzyl-2-cyano-3-(2,6-dichloroanilino)prop-2-enamide
CID 108842349
(Z)-N-benzhydryl-3-[(4-bromophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108840581

Frequently Asked Questions

What is the IUPAC name of (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide?
The IUPAC name of (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide (CID 56696194) is (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide is N#C/C(=C\NCc1ccccc1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide?
The InChIKey is HPLUXDWLOSDRMA-SAPNQHFASA-N. The full InChI is InChI=1S/C19H18N4O2/c20-11-17(14-21-12-15-7-3-1-4-8-15)18(24)23-19(25)22-13-16-9-5-2-6-10-16/h1-10,14,21H,12-13H2,(H2,22,23,24,25)/b17-14+.
What are the key properties of (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide?
(E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide has a molecular weight of 334.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(benzylamino)-N-(benzylcarbamoyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 56696194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).