N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide

C21H24N4O2 — CID 119044841

IUPACN-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H24N4O2/c1-3-25(13-16-7-8-20-17(11-16)9-10-22-20)14-21(27)24-19-6-4-5-18(12-19)23-15(2)26/h4-12,22H,3,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyOXBJWUUVUIFICJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.59
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide

N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide (PubChem CID 119044841) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
PubChem CID119044841
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C21H24N4O2/c1-3-25(13-16-7-8-20-17(11-16)9-10-22-20)14-21(27)24-19-6-4-5-18(12-19)23-15(2)26/h4-12,22H,3,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyOXBJWUUVUIFICJ-UHFFFAOYSA-N
XLogP3.59
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(3-ethylphenyl)acetamide
CID 18191552
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
N,N-diethylethanamine;N-methyl-1H-indol-5-amine
CID 142890112
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide (CID 119044841) is N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide is CCN(CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide?
The InChIKey is OXBJWUUVUIFICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25(13-16-7-8-20-17(11-16)9-10-22-20)14-21(27)24-19-6-4-5-18(12-19)23-15(2)26/h4-12,22H,3,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide?
N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[ethyl(1H-indol-5-ylmethyl)amino]acetamide is sourced from PubChem (CID 119044841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).