(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide

C31H30N2O2 — CID 108767321

IUPAC(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-22(2)35-27-19-15-24(16-20-27)21-28(25-9-5-4-6-10-25)31(34)33-30-12-8-7-11-29(30)32-26-17-13-23(3)14-18-26/h4-22,32H,1-3H3,(H,33,34)/b28-21+
InChIKeyYEPRFKXZFOJZOI-SGWCAAJKSA-N
MW462.59 g/mol
LogP7.71
Rot. Bonds8

About (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide

(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 108767321) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID108767321
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-22(2)35-27-19-15-24(16-20-27)21-28(25-9-5-4-6-10-25)31(34)33-30-12-8-7-11-29(30)32-26-17-13-23(3)14-18-26/h4-22,32H,1-3H3,(H,33,34)/b28-21+
InChIKeyYEPRFKXZFOJZOI-SGWCAAJKSA-N
XLogP7.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[[(E)-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 108766501
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
CID 3426946
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 108767321) is (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide is Cc1ccc(Nc2ccccc2NC(=O)/C(=C/c2ccc(OC(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is YEPRFKXZFOJZOI-SGWCAAJKSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-22(2)35-27-19-15-24(16-20-27)21-28(25-9-5-4-6-10-25)31(34)33-30-12-8-7-11-29(30)32-26-17-13-23(3)14-18-26/h4-22,32H,1-3H3,(H,33,34)/b28-21+.
What are the key properties of (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 462.59 g/mol, XLogP of 7.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 108767321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).