2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide

C29H29N3O2 — CID 18409589

IUPAC2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-20(21-10-4-3-5-11-21)32-28(33)29(2,17-23-18-30-26-14-8-7-13-25(23)26)31-19-24-16-22-12-6-9-15-27(22)34-24/h3-16,18,20,30-31H,17,19H2,1-2H3,(H,32,33)
InChIKeyQFAJKIGTJVLZIC-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.88
Rot. Bonds8

About 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide

2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide (PubChem CID 18409589) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
PubChem CID18409589
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C29H29N3O2/c1-20(21-10-4-3-5-11-21)32-28(33)29(2,17-23-18-30-26-14-8-7-13-25(23)26)31-19-24-16-22-12-6-9-15-27(22)34-24/h3-16,18,20,30-31H,17,19H2,1-2H3,(H,32,33)
InChIKeyQFAJKIGTJVLZIC-UHFFFAOYSA-N
XLogP5.88
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-ylmethylamino)-N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409670
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide
CID 18409750
(2S)-2-(1-benzofuran-2-ylmethylamino)-2-(hydroxymethyl)-3-(1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 10205272
2-(1-benzofuran-2-ylmethylamino)-N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409679
1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-yl]carbamate
CID 10435926
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 57149915
2-(1H-benzimidazol-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
CID 18409614
2-(1-benzofuran-2-ylmethylamino)-N-[(2,4-diaminopyrimidin-5-yl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409662
[(2R)-2-[[(2R)-2-(1-benzofuran-2-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-2-phenylethyl] (2S)-2-amino-4-methylpentanoate
CID 165366711
(2-methyl-1-phenylpropyl) N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 10577242
[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate
CID 67811308
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propanamide
CID 18409835

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide (CID 18409589) is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide?
The InChIKey is QFAJKIGTJVLZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-20(21-10-4-3-5-11-21)32-28(33)29(2,17-23-18-30-26-14-8-7-13-25(23)26)31-19-24-16-22-12-6-9-15-27(22)34-24/h3-16,18,20,30-31H,17,19H2,1-2H3,(H,32,33).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide?
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide has a molecular weight of 451.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 18409589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).