(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide

C23H24N2O — CID 59031388

IUPAC(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2cccc3[nH]ccc23)cc1C)C(=O)NC1CC1
InChIInChI=1S/C23H24N2O/c1-14-13-21(19-5-4-6-22-20(19)9-10-24-22)15(2)11-17(14)12-16(3)23(26)25-18-7-8-18/h4-6,9-13,18,24H,7-8H2,1-3H3,(H,25,26)/b16-12+
InChIKeyYRFJMNAUBXHQBO-FOWTUZBSSA-N
MW344.46 g/mol
LogP5.13
Rot. Bonds4

About (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide

(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide (PubChem CID 59031388) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
PubChem CID59031388
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide
SMILESC/C(=C\c1cc(C)c(-c2cccc3[nH]ccc23)cc1C)C(=O)NC1CC1
InChIInChI=1S/C23H24N2O/c1-14-13-21(19-5-4-6-22-20(19)9-10-24-22)15(2)11-17(14)12-16(3)23(26)25-18-7-8-18/h4-6,9-13,18,24H,7-8H2,1-3H3,(H,25,26)/b16-12+
InChIKeyYRFJMNAUBXHQBO-FOWTUZBSSA-N
XLogP5.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.13
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)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide (CID 59031388) is (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide is C/C(=C\c1cc(C)c(-c2cccc3[nH]ccc23)cc1C)C(=O)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide?
The InChIKey is YRFJMNAUBXHQBO-FOWTUZBSSA-N. The full InChI is InChI=1S/C23H24N2O/c1-14-13-21(19-5-4-6-22-20(19)9-10-24-22)15(2)11-17(14)12-16(3)23(26)25-18-7-8-18/h4-6,9-13,18,24H,7-8H2,1-3H3,(H,25,26)/b16-12+.
What are the key properties of (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide?
(E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[4-(1H-indol-4-yl)-2,5-dimethylphenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 59031388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).