3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C22H29N3O3 — CID 17412994

IUPAC3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-16-8-6-11-20(17(16)2)23-21(26)15-25(12-13-28-5)22(27)18-9-7-10-19(14-18)24(3)4/h6-11,14H,12-13,15H2,1-5H3,(H,23,26)
InChIKeyCXSSDPJLDLTQIV-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.10
Rot. Bonds8

About 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 17412994) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
PubChem CID17412994
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C22H29N3O3/c1-16-8-6-11-20(17(16)2)23-21(26)15-25(12-13-28-5)22(27)18-9-7-10-19(14-18)24(3)4/h6-11,14H,12-13,15H2,1-5H3,(H,23,26)
InChIKeyCXSSDPJLDLTQIV-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 17467417
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
3-[[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8553890
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 24684527
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
3,5-difluoro-N-(2-methoxyethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 8504506
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 17412994) is 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is CXSSDPJLDLTQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-8-6-11-20(17(16)2)23-21(26)15-25(12-13-28-5)22(27)18-9-7-10-19(14-18)24(3)4/h6-11,14H,12-13,15H2,1-5H3,(H,23,26).
What are the key properties of 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17412994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).