3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide

C20H22N2O — CID 3394392

IUPAC3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O/c1-2-12-21-20(23)13-17(15-8-4-3-5-9-15)18-14-22-19-11-7-6-10-16(18)19/h3-11,14,17,22H,2,12-13H2,1H3,(H,21,23)
InChIKeyGDEHIKKMLXWZED-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.22
Rot. Bonds6

About 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide

3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide (PubChem CID 3394392) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
PubChem CID3394392
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22N2O/c1-2-12-21-20(23)13-17(15-8-4-3-5-9-15)18-14-22-19-11-7-6-10-16(18)19/h3-11,14,17,22H,2,12-13H2,1H3,(H,21,23)
InChIKeyGDEHIKKMLXWZED-UHFFFAOYSA-N
XLogP4.22
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803917
(3S)-N-(3,3-diphenylpropyl)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93122634
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874
N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide (CID 3394392) is 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide is CCCNC(=O)CC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide?
The InChIKey is GDEHIKKMLXWZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-12-21-20(23)13-17(15-8-4-3-5-9-15)18-14-22-19-11-7-6-10-16(18)19/h3-11,14,17,22H,2,12-13H2,1H3,(H,21,23).
What are the key properties of 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide?
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 3394392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).