N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

C26H31N3O6 — CID 24980873

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC
InChIInChI=1S/C26H31N3O6/c1-6-32-23-13-12-19(14-24(23)33-7-2)27-25(30)15-29(5)26(31)20-10-8-9-11-22(20)34-16-21-17(3)28-35-18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,27,30)
InChIKeyHTUNJVPMUCTYGP-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.38
Rot. Bonds11

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (PubChem CID 24980873) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
PubChem CID24980873
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC
InChIInChI=1S/C26H31N3O6/c1-6-32-23-13-12-19(14-24(23)33-7-2)27-25(30)15-29(5)26(31)20-10-8-9-11-22(20)34-16-21-17(3)28-35-18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,27,30)
InChIKeyHTUNJVPMUCTYGP-UHFFFAOYSA-N
XLogP4.38
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093725
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
N-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 17252844
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677655
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3245828
N-(3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-methoxy-phenyl)-acetamide
CID 10343244
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 25163087
1-{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 25163258
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide
CID 2094703
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2448238

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide (CID 24980873) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
The InChIKey is HTUNJVPMUCTYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-6-32-23-13-12-19(14-24(23)33-7-2)27-25(30)15-29(5)26(31)20-10-8-9-11-22(20)34-16-21-17(3)28-35-18(21)4/h8-14H,6-7,15-16H2,1-5H3,(H,27,30).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide has a molecular weight of 481.55 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 24980873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).