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

C25H26N2O — CID 108767317

IUPAC(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H26N2O/c1-18(2)21-13-10-20(11-14-21)12-17-25(28)27-24-7-5-4-6-23(24)26-22-15-8-19(3)9-16-22/h4-18,26H,1-3H3,(H,27,28)/b17-12+
InChIKeyLYQPSQWQRLYRNK-SFQUDFHCSA-N
MW370.50 g/mol
LogP6.51
Rot. Bonds6

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

(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 108767317) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID108767317
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H26N2O/c1-18(2)21-13-10-20(11-14-21)12-17-25(28)27-24-7-5-4-6-23(24)26-22-15-8-19(3)9-16-22/h4-18,26H,1-3H3,(H,27,28)/b17-12+
InChIKeyLYQPSQWQRLYRNK-SFQUDFHCSA-N
XLogP6.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 108767317) is (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1ccc(Nc2ccccc2NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is LYQPSQWQRLYRNK-SFQUDFHCSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18(2)21-13-10-20(11-14-21)12-17-25(28)27-24-7-5-4-6-23(24)26-22-15-8-19(3)9-16-22/h4-18,26H,1-3H3,(H,27,28)/b17-12+.
What are the key properties of (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 370.50 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylanilino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 108767317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).