3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide

C19H20N2O — CID 17473957

IUPAC3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-14-6-2-3-7-15(14)12-21-19(22)11-10-16-13-20-18-9-5-4-8-17(16)18/h2-9,13,20H,10-12H2,1H3,(H,21,22)
InChIKeyPPHRIDIQLNWJFR-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.73
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide

3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 17473957) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID17473957
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2O/c1-14-6-2-3-7-15(14)12-21-19(22)11-10-16-13-20-18-9-5-4-8-17(16)18/h2-9,13,20H,10-12H2,1H3,(H,21,22)
InChIKeyPPHRIDIQLNWJFR-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524941
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 17473957) is 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is PPHRIDIQLNWJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-6-2-3-7-15(14)12-21-19(22)11-10-16-13-20-18-9-5-4-8-17(16)18/h2-9,13,20H,10-12H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 3.73, 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-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 17473957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).