N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

C21H30N4O3 — CID 8622468

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C21H30N4O3/c1-13-8-14(2)20(15(3)9-13)23-18(27)12-25(7)11-17(26)22-19-10-16(24-28-19)21(4,5)6/h8-10H,11-12H2,1-7H3,(H,22,26)(H,23,27)
InChIKeyZBUIZOUPXKNMKS-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.41
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (PubChem CID 8622468) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
PubChem CID8622468
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1
InChIInChI=1S/C21H30N4O3/c1-13-8-14(2)20(15(3)9-13)23-18(27)12-25(7)11-17(26)22-19-10-16(24-28-19)21(4,5)6/h8-10H,11-12H2,1-7H3,(H,22,26)(H,23,27)
InChIKeyZBUIZOUPXKNMKS-UHFFFAOYSA-N
XLogP3.41
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]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

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79645523
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635344
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8695068
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622732
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide (CID 8622468) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C(C)(C)C)no2)c(C)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
The InChIKey is ZBUIZOUPXKNMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-13-8-14(2)20(15(3)9-13)23-18(27)12-25(7)11-17(26)22-19-10-16(24-28-19)21(4,5)6/h8-10H,11-12H2,1-7H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide is sourced from PubChem (CID 8622468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).