(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide

C19H15N3O — CID 18775922

IUPAC(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O/c1-14(17-5-3-2-4-6-17)22-19(23)18(13-21)11-15-7-9-16(12-20)10-8-15/h2-11,14H,1H3,(H,22,23)/b18-11+
InChIKeyCSEWJWBTPGAABQ-WOJGMQOQSA-N
MW301.35 g/mol
LogP3.34
Rot. Bonds4

About (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide

(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide (PubChem CID 18775922) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
PubChem CID18775922
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O/c1-14(17-5-3-2-4-6-17)22-19(23)18(13-21)11-15-7-9-16(12-20)10-8-15/h2-11,14H,1H3,(H,22,23)/b18-11+
InChIKeyCSEWJWBTPGAABQ-WOJGMQOQSA-N
XLogP3.34
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
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'}

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Related Compounds

(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(E)-2-cyano-N-[(1S)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-enamide
CID 2095128
methyl 4-[(E)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]benzoate
CID 2438064
2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 6710706
(Z)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126229124
(Z)-2-cyano-N-[(1R)-1-phenylethyl]-3-thiophen-3-ylprop-2-enamide
CID 94841504
2-cyano-3-(4-hexoxyphenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4129645
(Z)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7275658
(Z)-2-cyano-3-[4-[(4-methylphenyl)methoxy]phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 124646685
(Z)-3-(3-bromophenyl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 40600136
4-[[4-[(Z)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]phenoxy]methyl]benzoic acid
CID 126245006
3-[4-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 3766496

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide (CID 18775922) is (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide is CC(NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide?
The InChIKey is CSEWJWBTPGAABQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H15N3O/c1-14(17-5-3-2-4-6-17)22-19(23)18(13-21)11-15-7-9-16(12-20)10-8-15/h2-11,14H,1H3,(H,22,23)/b18-11+.
What are the key properties of (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide has a molecular weight of 301.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(4-cyanophenyl)-N-(1-phenylethyl)prop-2-enamide is sourced from PubChem (CID 18775922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).