(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

C20H21N3O — CID 6539890

IUPAC(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+
InChIKeyJGTLZJKIHHZHOX-FMIVXFBMSA-N
MW319.41 g/mol
LogP3.43
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (PubChem CID 6539890) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
PubChem CID6539890
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+
InChIKeyJGTLZJKIHHZHOX-FMIVXFBMSA-N
XLogP3.43
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (CID 6539890) is (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The InChIKey is JGTLZJKIHHZHOX-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22(20(24)12-9-15-7-10-17(21)11-8-15)14-18-13-16-5-3-4-6-19(16)23(18)2/h3-13H,14,21H2,1-2H3/b12-9+.
What are the key properties of (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide has a molecular weight of 319.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 6539890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).