N-benzyl-N-methyl-4-oxochromene-2-carboxamide

C18H15NO3 — CID 4056065

IUPACN-benzyl-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H15NO3/c1-19(12-13-7-3-2-4-8-13)18(21)17-11-15(20)14-9-5-6-10-16(14)22-17/h2-11H,12H2,1H3
InChIKeyGBEGENGTLKCSEK-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.07
Rot. Bonds3

About N-benzyl-N-methyl-4-oxochromene-2-carboxamide

N-benzyl-N-methyl-4-oxochromene-2-carboxamide (PubChem CID 4056065) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-oxochromene-2-carboxamide
PubChem CID4056065
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-benzyl-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H15NO3/c1-19(12-13-7-3-2-4-8-13)18(21)17-11-15(20)14-9-5-6-10-16(14)22-17/h2-11H,12H2,1H3
InChIKeyGBEGENGTLKCSEK-UHFFFAOYSA-N
XLogP3.07
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 56754468
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 31979910
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
CID 47064295
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41110086
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-benzyl-N-methyl-1-oxo-4-phenylisochromene-3-carboxamide
CID 12005263
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 55397064
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41115967

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-oxochromene-2-carboxamide (CID 4056065) is N-benzyl-N-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-oxochromene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-benzyl-N-methyl-4-oxochromene-2-carboxamide?
The InChIKey is GBEGENGTLKCSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19(12-13-7-3-2-4-8-13)18(21)17-11-15(20)14-9-5-6-10-16(14)22-17/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-oxochromene-2-carboxamide?
N-benzyl-N-methyl-4-oxochromene-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).