N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide

C20H19NO3 — CID 46590604

IUPACN-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3ccccc23)c1OC
InChIInChI=1S/C20H19NO3/c1-23-18-12-6-9-15(19(18)24-2)13-21-20(22)17-11-5-8-14-7-3-4-10-16(14)17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeySAERUTZFJDHSQM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.79
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 46590604) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
PubChem CID46590604
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3ccccc23)c1OC
InChIInChI=1S/C20H19NO3/c1-23-18-12-6-9-15(19(18)24-2)13-21-20(22)17-11-5-8-14-7-3-4-10-16(14)17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeySAERUTZFJDHSQM-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide (CID 46590604) is N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide is COc1cccc(CNC(=O)c2cccc3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is SAERUTZFJDHSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-18-12-6-9-15(19(18)24-2)13-21-20(22)17-11-5-8-14-7-3-4-10-16(14)17/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 46590604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).