(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide

C18H20N2O — CID 115343324

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
SMILESCN(CCc1ccccc1)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C18H20N2O/c1-20(13-12-15-6-3-2-4-7-15)18(21)11-10-16-8-5-9-17(19)14-16/h2-11,14H,12-13,19H2,1H3/b11-10+
InChIKeyXQMCFLPOGXLHQF-ZHACJKMWSA-N
MW280.37 g/mol
LogP2.98
Rot. Bonds5

About (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 115343324) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID115343324
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
SMILESCN(CCc1ccccc1)C(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C18H20N2O/c1-20(13-12-15-6-3-2-4-7-15)18(21)11-10-16-8-5-9-17(19)14-16/h2-11,14H,12-13,19H2,1H3/b11-10+
InChIKeyXQMCFLPOGXLHQF-ZHACJKMWSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
CID 115343261
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
(E)-3-(3-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 115342868
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
3-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-propan-2-ylamino]propanoic acid
CID 115343544
2-[3-(3-aminophenyl)prop-2-enoyl-methylamino]pentanoic acid
CID 175537141
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 115344008
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 69227483
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide (CID 115343324) is (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide is CN(CCc1ccccc1)C(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is XQMCFLPOGXLHQF-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(13-12-15-6-3-2-4-7-15)18(21)11-10-16-8-5-9-17(19)14-16/h2-11,14H,12-13,19H2,1H3/b11-10+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 115343324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).