N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide

C19H18N2O — CID 177311576

IUPACN-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)c1cccc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H18N2O/c1-4-21(19(22)14(2)3)18-12-8-11-16(17(18)13-20)15-9-6-5-7-10-15/h5-12H,2,4H2,1,3H3
InChIKeyXZNHPPQPAJCBRV-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.15
Rot. Bonds4

About N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide

N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide (PubChem CID 177311576) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide
PubChem CID177311576
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)c1cccc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H18N2O/c1-4-21(19(22)14(2)3)18-12-8-11-16(17(18)13-20)15-9-6-5-7-10-15/h5-12H,2,4H2,1,3H3
InChIKeyXZNHPPQPAJCBRV-UHFFFAOYSA-N
XLogP4.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
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 N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide?
The IUPAC name of N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide (CID 177311576) is N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide?
The canonical SMILES for N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)c1cccc(-c2ccccc2)c1C#N.
What is the InChIKey of N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide?
The InChIKey is XZNHPPQPAJCBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-4-21(19(22)14(2)3)18-12-8-11-16(17(18)13-20)15-9-6-5-7-10-15/h5-12H,2,4H2,1,3H3.
What are the key properties of N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide?
N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-phenylphenyl)-N-ethyl-2-methylprop-2-enamide is sourced from PubChem (CID 177311576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).