3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide

C15H17NO3 — CID 26500862

IUPAC3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
SMILESCOCCNC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C15H17NO3/c1-18-8-7-16-15(17)13-9-11-5-3-4-6-12(11)10-14(13)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeySREIAQNXQWHVQH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.22
Rot. Bonds5

About 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide

3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide (PubChem CID 26500862) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
PubChem CID26500862
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
SMILESCOCCNC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C15H17NO3/c1-18-8-7-16-15(17)13-9-11-5-3-4-6-12(11)10-14(13)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeySREIAQNXQWHVQH-UHFFFAOYSA-N
XLogP2.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide (CID 26500862) is 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide is COCCNC(=O)c1cc2ccccc2cc1OC.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide?
The InChIKey is SREIAQNXQWHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-8-7-16-15(17)13-9-11-5-3-4-6-12(11)10-14(13)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide?
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 26500862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).