5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C16H24N2O4 — CID 58045996

IUPAC5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCON(C)C(=O)c1cc(C(=O)N(C)OC)cc(C(C)(C)C)c1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)13-9-11(14(19)17(4)21-6)8-12(10-13)15(20)18(5)22-7/h8-10H,1-7H3
InChIKeyPWVSTSKBCFSVGR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.25
Rot. Bonds4

About 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 58045996) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID58045996
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCON(C)C(=O)c1cc(C(=O)N(C)OC)cc(C(C)(C)C)c1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)13-9-11(14(19)17(4)21-6)8-12(10-13)15(20)18(5)22-7/h8-10H,1-7H3
InChIKeyPWVSTSKBCFSVGR-UHFFFAOYSA-N
XLogP2.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.25
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-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3-acetyl-N-methoxy-N,5-dimethylbenzamide;tris(3-acetyl-5-methylbenzoic acid);tris(1-(3-acetyl-5-methylphenyl)ethanone)
CID 159771218
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate
CID 86677590
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
CID 145439185
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
5-hydroxy-N-methoxy-N-methylpyridine-3-carboxamide
CID 63850514
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide
CID 165140222
prop-2-enyl 3-amino-5-[methoxy(methyl)carbamoyl]benzoate
CID 22986142

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 58045996) is 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CON(C)C(=O)c1cc(C(=O)N(C)OC)cc(C(C)(C)C)c1.
What is the InChIKey of 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is PWVSTSKBCFSVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)13-9-11(14(19)17(4)21-6)8-12(10-13)15(20)18(5)22-7/h8-10H,1-7H3.
What are the key properties of 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 58045996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).