3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

C21H24N2O6 — CID 46346383

IUPAC3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C21H24N2O6/c1-5-26-17-10-13(11-18(27-6-2)19(17)28-7-3)20(24)22-14-8-9-15-16(12-14)29-21(25)23(15)4/h8-12H,5-7H2,1-4H3,(H,22,24)
InChIKeyRDLBICXUVQOVBM-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.58
Rot. Bonds8

About 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (PubChem CID 46346383) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
PubChem CID46346383
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc(OCC)c1OCC
InChIInChI=1S/C21H24N2O6/c1-5-26-17-10-13(11-18(27-6-2)19(17)28-7-3)20(24)22-14-8-9-15-16(12-14)29-21(25)23(15)4/h8-12H,5-7H2,1-4H3,(H,22,24)
InChIKeyRDLBICXUVQOVBM-UHFFFAOYSA-N
XLogP3.58
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
3,4,5-triethoxy-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]benzohydrazide
CID 30782171
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)-3,4-diethoxybenzamide
CID 46249208
N-(9,10-dioxoanthracen-2-yl)-3,4,5-triethoxybenzamide
CID 2892221
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (CID 46346383) is 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is RDLBICXUVQOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-5-26-17-10-13(11-18(27-6-2)19(17)28-7-3)20(24)22-14-8-9-15-16(12-14)29-21(25)23(15)4/h8-12H,5-7H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 400.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 46346383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).