(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide

C18H18N2O2 — CID 9411615

IUPAC(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-7-10-16(11-8-14)20-18(22)13-19-17(21)12-9-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-9+
InChIKeyZVWHPKYGAHFGTD-FMIVXFBMSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds5

About (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9411615) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9411615
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(NC(=O)CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-7-10-16(11-8-14)20-18(22)13-19-17(21)12-9-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-9+
InChIKeyZVWHPKYGAHFGTD-FMIVXFBMSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.76
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

(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
2,2-dimethyl-N-[3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]phenyl]propanamide
CID 55536081
[2-(4-acetamidoanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991851
methyl N-[4-[[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845795
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
(E)-N-[2-oxo-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 9157643
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide
CID 47117254
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9416088
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
CID 9413066
(E)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenylprop-2-enamide
CID 35332007
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide (CID 9411615) is (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide is Cc1ccc(NC(=O)CNC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is ZVWHPKYGAHFGTD-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-7-10-16(11-8-14)20-18(22)13-19-17(21)12-9-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b12-9+.
What are the key properties of (E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.76, 5 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)-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9411615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).