N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide

C23H19NO4 — CID 9482674

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cc4ccccc4oc3=O)ccc2c1
InChIInChI=1S/C23H19NO4/c1-24(14-15-7-8-17-12-19(27-2)10-9-16(17)11-15)22(25)20-13-18-5-3-4-6-21(18)28-23(20)26/h3-13H,14H2,1-2H3
InChIKeyOZVQAGUOVUHURZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.23
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 9482674) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
PubChem CID9482674
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3cc4ccccc4oc3=O)ccc2c1
InChIInChI=1S/C23H19NO4/c1-24(14-15-7-8-17-12-19(27-2)10-9-16(17)11-15)22(25)20-13-18-5-3-4-6-21(18)28-23(20)26/h3-13H,14H2,1-2H3
InChIKeyOZVQAGUOVUHURZ-UHFFFAOYSA-N
XLogP4.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
2-[(6-methoxy-2-oxochromene-3-carbonyl)-methylamino]benzoic acid
CID 21235325
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
7-[methyl(naphthalen-2-ylmethyl)amino]-2-oxochromene-3-carboxylic acid
CID 121297944

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide (CID 9482674) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide is COc1ccc2cc(CN(C)C(=O)c3cc4ccccc4oc3=O)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is OZVQAGUOVUHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-24(14-15-7-8-17-12-19(27-2)10-9-16(17)11-15)22(25)20-13-18-5-3-4-6-21(18)28-23(20)26/h3-13H,14H2,1-2H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 9482674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).