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

C21H27N3O3 — CID 9288005

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27N3O3/c1-5-27-18-11-9-17(10-12-18)22-20(25)13-24(4)14-21(26)23-19-8-6-7-15(2)16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZRPRRTHKEAZAMC-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.21
Rot. Bonds8

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

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 9288005) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
PubChem CID9288005
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27N3O3/c1-5-27-18-11-9-17(10-12-18)22-20(25)13-24(4)14-21(26)23-19-8-6-7-15(2)16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZRPRRTHKEAZAMC-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9287622
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
(2S)-N-(2,3-dimethylphenyl)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730417
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2658282
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide (CID 9288005) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is ZRPRRTHKEAZAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-27-18-11-9-17(10-12-18)22-20(25)13-24(4)14-21(26)23-19-8-6-7-15(2)16(19)3/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 9288005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).