N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide

C19H17NO4 — CID 17010945

IUPACN-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1
InChIInChI=1S/C19H17NO4/c1-11-8-12(2)18-14(21)10-17(24-16(18)9-11)19(22)20-13-6-4-5-7-15(13)23-3/h4-10H,1-3H3,(H,20,22)
InChIKeyDTJVNTCMXRVNOC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds3

About N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide

N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 17010945) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide
PubChem CID17010945
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1
InChIInChI=1S/C19H17NO4/c1-11-8-12(2)18-14(21)10-17(24-16(18)9-11)19(22)20-13-6-4-5-7-15(13)23-3/h4-10H,1-3H3,(H,20,22)
InChIKeyDTJVNTCMXRVNOC-UHFFFAOYSA-N
XLogP3.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115
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CID 4079326
(4S)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715268
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7715267
N-(2-carbamoylphenyl)-5-methoxy-4-oxopyran-2-carboxamide
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7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843761
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
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ethane;(2-methoxyphenyl)urea
CID 143063924
N-(2-methoxyphenyl)-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109243927
N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 2985786
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide (CID 17010945) is N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide is COc1ccccc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1.
What is the InChIKey of N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
The InChIKey is DTJVNTCMXRVNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-8-12(2)18-14(21)10-17(24-16(18)9-11)19(22)20-13-6-4-5-7-15(13)23-3/h4-10H,1-3H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide?
N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5,7-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17010945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).