N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide

C22H17NO3 — CID 18115026

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H17NO3/c1-23(14-15-10-11-16-6-2-3-7-17(16)12-15)21(24)19-13-18-8-4-5-9-20(18)26-22(19)25/h2-13H,14H2,1H3
InChIKeyJZIYYPOSCZWXDS-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.22
Rot. Bonds3

About N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide

N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide (PubChem CID 18115026) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
PubChem CID18115026
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H17NO3/c1-23(14-15-10-11-16-6-2-3-7-17(16)12-15)21(24)19-13-18-8-4-5-9-20(18)26-22(19)25/h2-13H,14H2,1H3
InChIKeyJZIYYPOSCZWXDS-UHFFFAOYSA-N
XLogP4.22
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
7-[methyl(naphthalen-2-ylmethyl)amino]-2-oxochromene-3-carboxylic acid
CID 121297944
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide (CID 18115026) is N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide?
The InChIKey is JZIYYPOSCZWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-23(14-15-10-11-16-6-2-3-7-17(16)12-15)21(24)19-13-18-8-4-5-9-20(18)26-22(19)25/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide?
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 18115026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).