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

C18H18N2O2 — CID 9341605

IUPAC(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-5-9-16(12-14)20-18(22)13-19-17(21)11-10-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyOUVXOLGCTZOPNV-ZHACJKMWSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds5

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

(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9341605) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9341605
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-5-9-16(12-14)20-18(22)13-19-17(21)11-10-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyOUVXOLGCTZOPNV-ZHACJKMWSA-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

2,2-dimethyl-N-[3-[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]phenyl]propanamide
CID 55536081
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 42765986
(E)-N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-3-phenylprop-2-enamide
CID 9413066
(E)-N-[2-(hydroxyamino)-2-oxoethyl]-N'-(3-methylphenyl)but-2-enediamide
CID 86581898
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(2E,4E)-N-(3-methylphenyl)-5-phenylpenta-2,4-dienamide
CID 56640990
[2-(3-methoxyanilino)-2-oxoethyl] 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate
CID 7991685
N-(3,4-dimethylphenyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9416088
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide (CID 9341605) is (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide is Cc1cccc(NC(=O)CNC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is OUVXOLGCTZOPNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-6-5-9-16(12-14)20-18(22)13-19-17(21)11-10-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,19,21)(H,20,22)/b11-10+.
What are the key properties of (E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(3-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-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9341605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).