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

C30H31N3O2 — CID 18409750

IUPAC2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C30H31N3O2/c1-21(22-10-4-3-5-11-22)18-32-29(34)30(2,17-24-19-31-27-14-8-7-13-26(24)27)33-20-25-16-23-12-6-9-15-28(23)35-25/h3-16,19,21,31,33H,17-18,20H2,1-2H3,(H,32,34)
InChIKeyDRBQLTOWKSWKOP-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.93
Rot. Bonds9

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

2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide (PubChem CID 18409750) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide
PubChem CID18409750
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide
SMILESCC(CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NCc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C30H31N3O2/c1-21(22-10-4-3-5-11-22)18-32-29(34)30(2,17-24-19-31-27-14-8-7-13-26(24)27)33-20-25-16-23-12-6-9-15-28(23)35-25/h3-16,19,21,31,33H,17-18,20H2,1-2H3,(H,32,34)
InChIKeyDRBQLTOWKSWKOP-UHFFFAOYSA-N
XLogP5.93
TPSA70.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
CID 18409589
2-(1-benzofuran-2-ylmethylamino)-N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409679
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)-N-[(2,4-diaminopyrimidin-5-yl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 18409662
(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)-3-(1H-indol-3-yl)-2-methyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propanamide
CID 18409835
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 57149915
[(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
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
2-(1H-benzimidazol-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(1-phenylethyl)propanamide
CID 18409614
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 18409526

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide (CID 18409750) is 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide is CC(CNC(=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-(2-phenylpropyl)propanamide?
The InChIKey is DRBQLTOWKSWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c1-21(22-10-4-3-5-11-22)18-32-29(34)30(2,17-24-19-31-27-14-8-7-13-26(24)27)33-20-25-16-23-12-6-9-15-28(23)35-25/h3-16,19,21,31,33H,17-18,20H2,1-2H3,(H,32,34).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide?
2-(1-benzofuran-2-ylmethylamino)-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylpropyl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 5.93, 9 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-(2-phenylpropyl)propanamide is sourced from PubChem (CID 18409750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).