(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide

C18H16N2O — CID 69174098

IUPAC(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C18H16N2O/c1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15/h2-12,20H,1H3,(H,19,21)/b16-12+
InChIKeyVVJOPZGAKXBKQK-FOWTUZBSSA-N
MW276.34 g/mol
LogP3.35
Rot. Bonds3

About (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide

(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide (PubChem CID 69174098) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
PubChem CID69174098
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(\c1ccccc1)c1cccc2cc[nH]c12
InChIInChI=1S/C18H16N2O/c1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15/h2-12,20H,1H3,(H,19,21)/b16-12+
InChIKeyVVJOPZGAKXBKQK-FOWTUZBSSA-N
XLogP3.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide (CID 69174098) is (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(\c1ccccc1)c1cccc2cc[nH]c12.
What is the InChIKey of (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is VVJOPZGAKXBKQK-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H16N2O/c1-19-17(21)12-16(13-6-3-2-4-7-13)15-9-5-8-14-10-11-20-18(14)15/h2-12,20H,1H3,(H,19,21)/b16-12+.
What are the key properties of (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide?
(E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-7-yl)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 69174098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).