3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide

C19H16N2O5 — CID 3539530

IUPAC3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-25-14-7-8-16(17(11-14)21(23)24)20-19(22)15-9-12-5-3-4-6-13(12)10-18(15)26-2/h3-11H,1-2H3,(H,20,22)
InChIKeyYIZBPEPYLDMCCL-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.02
Rot. Bonds5

About 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide

3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide (PubChem CID 3539530) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
PubChem CID3539530
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C19H16N2O5/c1-25-14-7-8-16(17(11-14)21(23)24)20-19(22)15-9-12-5-3-4-6-13(12)10-18(15)26-2/h3-11H,1-2H3,(H,20,22)
InChIKeyYIZBPEPYLDMCCL-UHFFFAOYSA-N
XLogP4.02
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-2-naphthalen-2-ylacetamide
CID 16849665
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide (CID 3539530) is 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide?
The InChIKey is YIZBPEPYLDMCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-14-7-8-16(17(11-14)21(23)24)20-19(22)15-9-12-5-3-4-6-13(12)10-18(15)26-2/h3-11H,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide?
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 3539530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).