1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide

C16H18N2O4 — CID 71406304

IUPAC1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
SMILESCON(C)C(=O)c1ccc(C(=O)N(C)OC)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-17(21-3)15(19)13-9-10-14(16(20)18(2)22-4)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKeySJFOIFXCBJVAGI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.11
Rot. Bonds4

About 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide

1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide (PubChem CID 71406304) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
PubChem CID71406304
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
SMILESCON(C)C(=O)c1ccc(C(=O)N(C)OC)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-17(21-3)15(19)13-9-10-14(16(20)18(2)22-4)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKeySJFOIFXCBJVAGI-UHFFFAOYSA-N
XLogP2.11
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.11
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

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N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
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2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
CID 142000932
N-methoxy-N-methyl-2-nitrobenzamide
CID 4779158
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CID 102037837

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide (CID 71406304) is 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide is CON(C)C(=O)c1ccc(C(=O)N(C)OC)c2ccccc12.
What is the InChIKey of 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide?
The InChIKey is SJFOIFXCBJVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17(21-3)15(19)13-9-10-14(16(20)18(2)22-4)12-8-6-5-7-11(12)13/h5-10H,1-4H3.
What are the key properties of 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide?
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide is sourced from PubChem (CID 71406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).