N,3,5-trimethoxy-N,4-dimethylbenzamide

C12H17NO4 — CID 23137896

IUPACN,3,5-trimethoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)OC)cc(OC)c1C
InChIInChI=1S/C12H17NO4/c1-8-10(15-3)6-9(7-11(8)16-4)12(14)13(2)17-5/h6-7H,1-5H3
InChIKeyMHXDOJCWECZPTD-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.65
Rot. Bonds4

About N,3,5-trimethoxy-N,4-dimethylbenzamide

N,3,5-trimethoxy-N,4-dimethylbenzamide (PubChem CID 23137896) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N,3,5-trimethoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN,3,5-trimethoxy-N,4-dimethylbenzamide
PubChem CID23137896
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN,3,5-trimethoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)OC)cc(OC)c1C
InChIInChI=1S/C12H17NO4/c1-8-10(15-3)6-9(7-11(8)16-4)12(14)13(2)17-5/h6-7H,1-5H3
InChIKeyMHXDOJCWECZPTD-UHFFFAOYSA-N
XLogP1.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
3-acetyl-N-methoxy-N,5-dimethylbenzamide;tris(3-acetyl-5-methylbenzoic acid);tris(1-(3-acetyl-5-methylphenyl)ethanone)
CID 159771218
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
2-bromo-N,4,5-trimethoxy-N-methylbenzamide
CID 90127344
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethoxy-N,4-dimethylbenzamide?
The IUPAC name of N,3,5-trimethoxy-N,4-dimethylbenzamide (CID 23137896) is N,3,5-trimethoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N,3,5-trimethoxy-N,4-dimethylbenzamide?
The canonical SMILES for N,3,5-trimethoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)OC)cc(OC)c1C.
What is the InChIKey of N,3,5-trimethoxy-N,4-dimethylbenzamide?
The InChIKey is MHXDOJCWECZPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8-10(15-3)6-9(7-11(8)16-4)12(14)13(2)17-5/h6-7H,1-5H3.
What are the key properties of N,3,5-trimethoxy-N,4-dimethylbenzamide?
N,3,5-trimethoxy-N,4-dimethylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 23137896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).