N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

C19H18N2O — CID 67356049

IUPACN-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
SMILESCNC(=O)C=C(c1ccccc1)c1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H18N2O/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)
InChIKeyUFVGHWUKTOPFTF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (PubChem CID 67356049) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
PubChem CID67356049
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
SMILESCNC(=O)C=C(c1ccccc1)c1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C19H18N2O/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)
InChIKeyUFVGHWUKTOPFTF-UHFFFAOYSA-N
XLogP3.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.65
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 N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (CID 67356049) is N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is CNC(=O)C=C(c1ccccc1)c1ccc2[nH]c(C)cc2c1.
What is the InChIKey of N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
The InChIKey is UFVGHWUKTOPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22).
What are the key properties of N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?
N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 290.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 67356049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).