(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide

C19H17N3O — CID 9045344

IUPAC(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\c1ccc(Nc2ccccc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C19H17N3O/c20-13-15(19(23)22-18-10-11-18)12-14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,12,18,21H,10-11H2,(H,22,23)/b15-12+
InChIKeyLUJSENBJUIJUFU-NTCAYCPXSA-N
MW303.37 g/mol
LogP3.62
Rot. Bonds5

About (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide

(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide (PubChem CID 9045344) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
PubChem CID9045344
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide
SMILESN#C/C(=C\c1ccc(Nc2ccccc2)cc1)C(=O)NC1CC1
InChIInChI=1S/C19H17N3O/c20-13-15(19(23)22-18-10-11-18)12-14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,12,18,21H,10-11H2,(H,22,23)/b15-12+
InChIKeyLUJSENBJUIJUFU-NTCAYCPXSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-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

(E)-3-(4-anilinophenyl)-N-benzyl-2-cyanoprop-2-enamide
CID 9045300
(E)-2-cyano-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9334050
3-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]benzoic acid
CID 57397719
(E)-2-cyano-N-cyclopropyl-3-(3,4-difluorophenyl)prop-2-enamide
CID 8865669
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-cyano-N-cyclopropylprop-2-enamide
CID 35746509
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(E)-2-cyano-N-cyclopropyl-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 57392432
(2S)-2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 801668
(2R)-2-[3-[(Z)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]propanoic acid
CID 95592041
(E)-2-cyano-N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 35746506
(Z)-2-cyano-N-cyclopropyl-3-(1H-pyrrol-2-yl)prop-2-enamide
CID 787842

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide?
The IUPAC name of (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide (CID 9045344) is (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide is N#C/C(=C\c1ccc(Nc2ccccc2)cc1)C(=O)NC1CC1.
What is the InChIKey of (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide?
The InChIKey is LUJSENBJUIJUFU-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H17N3O/c20-13-15(19(23)22-18-10-11-18)12-14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,12,18,21H,10-11H2,(H,22,23)/b15-12+.
What are the key properties of (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide?
(E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-anilinophenyl)-2-cyano-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 9045344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).