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

C19H20N2O2 — CID 4782159

IUPAC3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O2/c1-23-16-6-4-5-14(11-16)12-21-19(22)10-9-15-13-20-18-8-3-2-7-17(15)18/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,22)
InChIKeyIBTYCYKABCQFEF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.43
Rot. Bonds6

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

3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 4782159) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID4782159
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O2/c1-23-16-6-4-5-14(11-16)12-21-19(22)10-9-15-13-20-18-8-3-2-7-17(15)18/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,22)
InChIKeyIBTYCYKABCQFEF-UHFFFAOYSA-N
XLogP3.43
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160300
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-(3-methoxyphenyl)ethyl 4-(1H-indol-3-yl)butanedithioate
CID 58171051

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 4782159) is 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is IBTYCYKABCQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-16-6-4-5-14(11-16)12-21-19(22)10-9-15-13-20-18-8-3-2-7-17(15)18/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4782159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).