N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide

C20H21N3O3 — CID 108949616

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-18-9-5-4-8-17(18)23-20(25)12-19(24)21-11-10-14-13-22-16-7-3-2-6-15(14)16/h2-9,13,22H,10-12H2,1H3,(H,21,24)(H,23,25)
InChIKeyYDPVLTCMDUFSCB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide

N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide (PubChem CID 108949616) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
PubChem CID108949616
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-26-18-9-5-4-8-17(18)23-20(25)12-19(24)21-11-10-14-13-22-16-7-3-2-6-15(14)16/h2-9,13,22H,10-12H2,1H3,(H,21,24)(H,23,25)
InChIKeyYDPVLTCMDUFSCB-UHFFFAOYSA-N
XLogP2.86
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
N-[2-(1H-indol-3-yl)ethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18201364
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide (CID 108949616) is N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide is COc1ccccc1NC(=O)CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide?
The InChIKey is YDPVLTCMDUFSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-18-9-5-4-8-17(18)23-20(25)12-19(24)21-11-10-14-13-22-16-7-3-2-6-15(14)16/h2-9,13,22H,10-12H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide has a molecular weight of 351.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 108949616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).