(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide

C20H22N2O2 — CID 34170138

IUPAC(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C
InChIInChI=1S/C20H22N2O2/c1-4-19(23)21-17-6-5-7-18(15(17)3)22-20(24)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)/b13-12+
InChIKeyZJOCIVOWKSEZND-OUKQBFOZSA-N
MW322.41 g/mol
LogP4.30
Rot. Bonds5

About (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide

(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide (PubChem CID 34170138) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide
PubChem CID34170138
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C
InChIInChI=1S/C20H22N2O2/c1-4-19(23)21-17-6-5-7-18(15(17)3)22-20(24)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)/b13-12+
InChIKeyZJOCIVOWKSEZND-OUKQBFOZSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.30
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

2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108923021
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
N-[2-methyl-3-(2-methylanilino)phenyl]-3-phenylprop-2-enamide
CID 139612240
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
CID 26161245
N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761245
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
4-[(E)-3-(2,3-dimethylanilino)-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061980

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide (CID 34170138) is (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide is CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1C.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide?
The InChIKey is ZJOCIVOWKSEZND-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-19(23)21-17-6-5-7-18(15(17)3)22-20(24)13-12-16-10-8-14(2)9-11-16/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)/b13-12+.
What are the key properties of (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide?
(E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-[2-methyl-3-(propanoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 34170138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).