2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C23H28N4O2 — CID 8554460

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C23H28N4O2/c1-16-7-6-10-20(17(16)2)26-23(29)15-27(3)14-22(28)24-12-11-18-13-25-21-9-5-4-8-19(18)21/h4-10,13,25H,11-12,14-15H2,1-3H3,(H,24,28)(H,26,29)
InChIKeySTHJQYSYDWTKHJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.01
Rot. Bonds8

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 8554460) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID8554460
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C23H28N4O2/c1-16-7-6-10-20(17(16)2)26-23(29)15-27(3)14-22(28)24-12-11-18-13-25-21-9-5-4-8-19(18)21/h4-10,13,25H,11-12,14-15H2,1-3H3,(H,24,28)(H,26,29)
InChIKeySTHJQYSYDWTKHJ-UHFFFAOYSA-N
XLogP3.01
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169511
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261301
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetamide
CID 8805917
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
N-(2,3-dimethylphenyl)-2-(1H-indol-3-ylsulfonyl)acetamide
CID 751478
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 8554460) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)NCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is STHJQYSYDWTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-7-6-10-20(17(16)2)26-23(29)15-27(3)14-22(28)24-12-11-18-13-25-21-9-5-4-8-19(18)21/h4-10,13,25H,11-12,14-15H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 8554460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).