N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide

C21H23N3O2 — CID 112993936

IUPACN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-15-5-4-6-16(11-15)12-20(25)24-14-21(26)22-10-9-17-13-23-19-8-3-2-7-18(17)19/h2-8,11,13,23H,9-10,12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyAUOFNWPUQIATKT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.49
Rot. Bonds7

About N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide

N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide (PubChem CID 112993936) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
PubChem CID112993936
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-15-5-4-6-16(11-15)12-20(25)24-14-21(26)22-10-9-17-13-23-19-8-3-2-7-18(17)19/h2-8,11,13,23H,9-10,12,14H2,1H3,(H,22,26)(H,24,25)
InChIKeyAUOFNWPUQIATKT-UHFFFAOYSA-N
XLogP2.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135314
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
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-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide (CID 112993936) is N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is AUOFNWPUQIATKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-5-4-6-16(11-15)12-20(25)24-14-21(26)22-10-9-17-13-23-19-8-3-2-7-18(17)19/h2-8,11,13,23H,9-10,12,14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide?
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 112993936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).