(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide

C19H18N2O — CID 19169428

IUPAC(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(2)17-10-6-7-11-18(17)21-19(22)16(13-20)12-15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,21,22)/b16-12+
InChIKeyIMDKAVLGRYDNMW-FOWTUZBSSA-N
MW290.37 g/mol
LogP4.36
Rot. Bonds4

About (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide

(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 19169428) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID19169428
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(2)17-10-6-7-11-18(17)21-19(22)16(13-20)12-15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,21,22)/b16-12+
InChIKeyIMDKAVLGRYDNMW-FOWTUZBSSA-N
XLogP4.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824639
(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 19172833
N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3965385
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824842
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824649
2-[4-[[(Z)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]amino]phenyl]acetic acid
CID 108824784
2-cyano-3-(2,2-dimethoxyethylamino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 171152539
(Z)-3-(2-acetamidoethylamino)-2-cyano-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824885
ethyl 3-[[(Z)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]amino]propanoate
CID 108824946
(Z)-2-cyano-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 99822584
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
CID 729380

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 19169428) is (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccccc1NC(=O)/C(C#N)=C/c1ccccc1.
What is the InChIKey of (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is IMDKAVLGRYDNMW-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)17-10-6-7-11-18(17)21-19(22)16(13-20)12-15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,21,22)/b16-12+.
What are the key properties of (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide?
(E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenyl-N-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 19169428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).