(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide

C17H14N2O — CID 716661

IUPAC(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H14N2O/c18-12-15-8-6-14(7-9-15)10-11-17(20)19-13-16-4-2-1-3-5-16/h1-11H,13H2,(H,19,20)/b11-10+
InChIKeyCZRJKPRIEGPAQT-ZHACJKMWSA-N
MW262.31 g/mol
LogP2.89
Rot. Bonds4

About (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide

(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide (PubChem CID 716661) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide
PubChem CID716661
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H14N2O/c18-12-15-8-6-14(7-9-15)10-11-17(20)19-13-16-4-2-1-3-5-16/h1-11H,13H2,(H,19,20)/b11-10+
InChIKeyCZRJKPRIEGPAQT-ZHACJKMWSA-N
XLogP2.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide (CID 716661) is (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide is N#Cc1ccc(/C=C/C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide?
The InChIKey is CZRJKPRIEGPAQT-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H14N2O/c18-12-15-8-6-14(7-9-15)10-11-17(20)19-13-16-4-2-1-3-5-16/h1-11H,13H2,(H,19,20)/b11-10+.
What are the key properties of (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide?
(E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(4-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 716661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).