3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide

C23H28N2O — CID 4102874

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCc1cccc2c(C(CC(=O)NCC(C)C)c3ccccc3)c[nH]c12
InChIInChI=1S/C23H28N2O/c1-4-17-11-8-12-19-21(15-25-23(17)19)20(18-9-6-5-7-10-18)13-22(26)24-14-16(2)3/h5-12,15-16,20,25H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyYYQGBDUWGNTRGC-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.02
Rot. Bonds7

About 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide

3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 4102874) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID4102874
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCc1cccc2c(C(CC(=O)NCC(C)C)c3ccccc3)c[nH]c12
InChIInChI=1S/C23H28N2O/c1-4-17-11-8-12-19-21(15-25-23(17)19)20(18-9-6-5-7-10-18)13-22(26)24-14-16(2)3/h5-12,15-16,20,25H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyYYQGBDUWGNTRGC-UHFFFAOYSA-N
XLogP5.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide (CID 4102874) is 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide is CCc1cccc2c(C(CC(=O)NCC(C)C)c3ccccc3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is YYQGBDUWGNTRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-17-11-8-12-19-21(15-25-23(17)19)20(18-9-6-5-7-10-18)13-22(26)24-14-16(2)3/h5-12,15-16,20,25H,4,13-14H2,1-3H3,(H,24,26).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide?
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 4102874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).