5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

C12H14N2O4 — CID 125494637

IUPAC5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C=O)cc(C(=O)NC)c1OC
InChIInChI=1S/C12H14N2O4/c1-13-11(16)8-4-7(6-15)5-9(10(8)18-3)12(17)14-2/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyWHUQAUYUCYTLLY-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.23
Rot. Bonds4

About 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 125494637) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID125494637
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(C=O)cc(C(=O)NC)c1OC
InChIInChI=1S/C12H14N2O4/c1-13-11(16)8-4-7(6-15)5-9(10(8)18-3)12(17)14-2/h4-6H,1-3H3,(H,13,16)(H,14,17)
InChIKeyWHUQAUYUCYTLLY-UHFFFAOYSA-N
XLogP0.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
3-acetyl-5-chloro-4-methoxybenzaldehyde
CID 171002136
methyl 2,3-difluoro-5-formylbenzoate
CID 115021891
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
CID 23505820
2-hydroxy-3,4,5-trimethoxy-N-methylbenzamide
CID 141383481
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
methyl 3-bromo-2-chloro-5-formylbenzoate
CID 171024239
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-(2-chloroacetyl)-2-methoxy-N-methylbenzamide
CID 166792418
methyl 3,5-diformyl-2-hydroxybenzoate
CID 870121
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 125494637) is 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is CNC(=O)c1cc(C=O)cc(C(=O)NC)c1OC.
What is the InChIKey of 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is WHUQAUYUCYTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-11(16)8-4-7(6-15)5-9(10(8)18-3)12(17)14-2/h4-6H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide?
5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 250.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 125494637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).