3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide

C24H32N4O3 — CID 8553890

IUPAC3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C24H32N4O3/c1-6-28(7-2)24(31)19-11-9-12-20(14-19)25-22(29)15-27(5)16-23(30)26-21-13-8-10-17(3)18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyNMVQCQGNZGQYBG-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.29
Rot. Bonds9

About 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 8553890) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
PubChem CID8553890
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C24H32N4O3/c1-6-28(7-2)24(31)19-11-9-12-20(14-19)25-22(29)15-27(5)16-23(30)26-21-13-8-10-17(3)18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyNMVQCQGNZGQYBG-UHFFFAOYSA-N
XLogP3.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913546

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide (CID 8553890) is 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is NMVQCQGNZGQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-28(7-2)24(31)19-11-9-12-20(14-19)25-22(29)15-27(5)16-23(30)26-21-13-8-10-17(3)18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 424.55 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 8553890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).