(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide

C18H20N2O — CID 115343261

IUPAC(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
SMILESCc1cccc(CN(C)C(=O)/C=C/c2cccc(N)c2)c1
InChIInChI=1S/C18H20N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-12H,13,19H2,1-2H3/b10-9+
InChIKeyMJEYBMHFNRQSMK-MDZDMXLPSA-N
MW280.37 g/mol
LogP3.25
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide (PubChem CID 115343261) 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-[(3-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
PubChem CID115343261
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide
SMILESCc1cccc(CN(C)C(=O)/C=C/c2cccc(N)c2)c1
InChIInChI=1S/C18H20N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-12H,13,19H2,1-2H3/b10-9+
InChIKeyMJEYBMHFNRQSMK-MDZDMXLPSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.25
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)-3-(3-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)prop-2-enamide
CID 115342868
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 115343909
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 30549125
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
(E)-3-(3-aminophenyl)-N-butan-2-yl-N-methylprop-2-enamide
CID 115342800

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide (CID 115343261) is (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide is Cc1cccc(CN(C)C(=O)/C=C/c2cccc(N)c2)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide?
The InChIKey is MJEYBMHFNRQSMK-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-5-3-7-16(11-14)13-20(2)18(21)10-9-15-6-4-8-17(19)12-15/h3-12H,13,19H2,1-2H3/b10-9+.
What are the key properties of (E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.25, 4 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-[(3-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 115343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).