(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide

C17H15N3O2 — CID 108842121

IUPAC(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(O)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O2/c18-10-14(12-19-15-6-8-16(21)9-7-15)17(22)20-11-13-4-2-1-3-5-13/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-
InChIKeyNKWLTEBCNRHNRH-OWBHPGMISA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds5

About (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide

(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide (PubChem CID 108842121) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide
PubChem CID108842121
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(O)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3O2/c18-10-14(12-19-15-6-8-16(21)9-7-15)17(22)20-11-13-4-2-1-3-5-13/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-
InChIKeyNKWLTEBCNRHNRH-OWBHPGMISA-N
XLogP2.53
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108842100
(Z)-3-anilino-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 108829246
ethyl 4-[[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoate
CID 108842116
(Z)-N-benzyl-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]prop-2-enamide
CID 108842160
(E)-3-(1,3-benzodioxol-5-ylamino)-N-benzyl-2-cyanoprop-2-enamide
CID 7459698
(Z)-N-benzyl-3-[3,5-bis(trifluoromethyl)anilino]-2-cyanoprop-2-enamide
CID 108842312
(Z)-3-(3-acetylanilino)-N-benzyl-2-cyanoprop-2-enamide
CID 108842189
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z)-N-benzyl-2-cyano-3-(2,6-dichloroanilino)prop-2-enamide
CID 108842349
(E)-N-benzyl-2-cyano-3-(3-methoxyanilino)prop-2-enamide
CID 7459691
(Z)-N-benzyl-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108842178
(Z)-2-cyano-3-(4-fluoroanilino)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837358

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide (CID 108842121) is (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(O)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide?
The InChIKey is NKWLTEBCNRHNRH-OWBHPGMISA-N. The full InChI is InChI=1S/C17H15N3O2/c18-10-14(12-19-15-6-8-16(21)9-7-15)17(22)20-11-13-4-2-1-3-5-13/h1-9,12,19,21H,11H2,(H,20,22)/b14-12-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-(4-hydroxyanilino)prop-2-enamide is sourced from PubChem (CID 108842121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).