N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide

C25H29N3O4 — CID 27807901

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1C
InChIInChI=1S/C25H29N3O4/c1-16-7-6-8-23(17(16)2)26-24(29)14-28(5)25(30)13-20-9-11-21(12-10-20)31-15-22-18(3)27-32-19(22)4/h6-12H,13-15H2,1-5H3,(H,26,29)
InChIKeyVQPVDDDIAPWTSU-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide (PubChem CID 27807901) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
PubChem CID27807901
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1C
InChIInChI=1S/C25H29N3O4/c1-16-7-6-8-23(17(16)2)26-24(29)14-28(5)25(30)13-20-9-11-21(12-10-20)31-15-22-18(3)27-32-19(22)4/h6-12H,13-15H2,1-5H3,(H,26,29)
InChIKeyVQPVDDDIAPWTSU-UHFFFAOYSA-N
XLogP4.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 17475034
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55308289
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2,5-dimethylphenyl)acetamide
CID 26500066
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 46564680
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 26813630
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)-N-methylacetamide
CID 27807806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide (CID 27807901) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide is Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
The InChIKey is VQPVDDDIAPWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16-7-6-8-23(17(16)2)26-24(29)14-28(5)25(30)13-20-9-11-21(12-10-20)31-15-22-18(3)27-32-19(22)4/h6-12H,13-15H2,1-5H3,(H,26,29).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide has a molecular weight of 435.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 27807901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).