3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide

C19H20N2O — CID 582677

IUPAC3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(15-7-3-2-4-8-15)21-19(22)12-11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)
InChIKeyQMDNPYZLNJTKJP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.98
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide (PubChem CID 582677) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
PubChem CID582677
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14(15-7-3-2-4-8-15)21-19(22)12-11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22)
InChIKeyQMDNPYZLNJTKJP-UHFFFAOYSA-N
XLogP3.98
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
3-(1H-indol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 41291005
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 25470256
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide (CID 582677) is 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is QMDNPYZLNJTKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(15-7-3-2-4-8-15)21-19(22)12-11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,20H,11-12H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide?
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 3.98, 5 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)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 582677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).