(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide

C30H28N2O — CID 71017879

IUPAC(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESC/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C30H28N2O/c1-24(30(33)31-22-21-25-11-5-2-6-12-25)23-26-17-19-29(20-18-26)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,23H,21-22H2,1H3,(H,31,33)/b24-23-
InChIKeyKFWHLRRQJRSOMO-VHXPQNKSSA-N
MW432.57 g/mol
LogP6.92
Rot. Bonds8

About (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide

(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 71017879) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID71017879
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESC/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C30H28N2O/c1-24(30(33)31-22-21-25-11-5-2-6-12-25)23-26-17-19-29(20-18-26)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,23H,21-22H2,1H3,(H,31,33)/b24-23-
InChIKeyKFWHLRRQJRSOMO-VHXPQNKSSA-N
XLogP6.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.92
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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Related Compounds

(Z)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 126604873
(E)-2-hydroxy-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 70997718
4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide
CID 5470459
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
(Z)-2-cyano-3-[4-(diethylamino)phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126247855
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835165
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
2-[(3,4-dihydroxyphenyl)methylidene]-N,N'-bis(2-phenylethyl)propanediamide
CID 2377632
(E)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-3-phenylprop-2-enamide
CID 110306377
methyl 4-[2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]benzoate
CID 2892674
2-(2-acetamidophenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 3566210

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide (CID 71017879) is (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide is C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is KFWHLRRQJRSOMO-VHXPQNKSSA-N. The full InChI is InChI=1S/C30H28N2O/c1-24(30(33)31-22-21-25-11-5-2-6-12-25)23-26-17-19-29(20-18-26)32(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-20,23H,21-22H2,1H3,(H,31,33)/b24-23-.
What are the key properties of (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide?
(Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 432.57 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-[4-(N-phenylanilino)phenyl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 71017879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).