N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C23H31N3O4 — CID 2658528

IUPACN-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C23H31N3O4/c1-6-29-20-11-9-18(13-21(20)30-7-2)24-22(27)14-26(5)15-23(28)25-19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyYGELXDXPYVNLJP-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.61
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2658528) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2658528
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C23H31N3O4/c1-6-29-20-11-9-18(13-21(20)30-7-2)24-22(27)14-26(5)15-23(28)25-19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyYGELXDXPYVNLJP-UHFFFAOYSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796100
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9223062
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 7910523
N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[(4-ethylanilino)methyl]phenoxy]acetamide
CID 4037519
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 2658528) is N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2C)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YGELXDXPYVNLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-6-29-20-11-9-18(13-21(20)30-7-2)24-22(27)14-26(5)15-23(28)25-19-10-8-16(3)12-17(19)4/h8-13H,6-7,14-15H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2658528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).