3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H22N2O2 — CID 2525309

IUPAC3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-24-17-9-6-15(7-10-17)12-13-21-20(23)11-8-16-14-22-19-5-3-2-4-18(16)19/h2-7,9-10,14,22H,8,11-13H2,1H3,(H,21,23)
InChIKeyFRQALDYNPBVNRF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 2525309) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID2525309
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-24-17-9-6-15(7-10-17)12-13-21-20(23)11-8-16-14-22-19-5-3-2-4-18(16)19/h2-7,9-10,14,22H,8,11-13H2,1H3,(H,21,23)
InChIKeyFRQALDYNPBVNRF-UHFFFAOYSA-N
XLogP3.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Pci-34051
CID 24753719

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 2525309) is 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is FRQALDYNPBVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-17-9-6-15(7-10-17)12-13-21-20(23)11-8-16-14-22-19-5-3-2-4-18(16)19/h2-7,9-10,14,22H,8,11-13H2,1H3,(H,21,23).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 7 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-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 2525309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).