2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide

C24H33N3O3 — CID 57328189

IUPAC2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@H](CO)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H33N3O3/c1-6-20(15-28)27(13-21(29)25-23-16(2)9-7-10-17(23)3)14-22(30)26-24-18(4)11-8-12-19(24)5/h7-12,20,28H,6,13-15H2,1-5H3,(H,25,29)(H,26,30)/t20-/m1/s1
InChIKeyQGPCDFKIMCDKSK-HXUWFJFHSA-N
MW411.55 g/mol
LogP3.57
Rot. Bonds9

About 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 57328189) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID57328189
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC[C@H](CO)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H33N3O3/c1-6-20(15-28)27(13-21(29)25-23-16(2)9-7-10-17(23)3)14-22(30)26-24-18(4)11-8-12-19(24)5/h7-12,20,28H,6,13-15H2,1-5H3,(H,25,29)(H,26,30)/t20-/m1/s1
InChIKeyQGPCDFKIMCDKSK-HXUWFJFHSA-N
XLogP3.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 57328189) is 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide is CC[C@H](CO)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QGPCDFKIMCDKSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-6-20(15-28)27(13-21(29)25-23-16(2)9-7-10-17(23)3)14-22(30)26-24-18(4)11-8-12-19(24)5/h7-12,20,28H,6,13-15H2,1-5H3,(H,25,29)(H,26,30)/t20-/m1/s1.
What are the key properties of 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-hydroxybutan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 57328189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).