5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide

C19H17NO5 — CID 11089072

IUPAC5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1
InChIInChI=1S/C19H17NO5/c1-11-4-6-12(7-5-11)20-18(21)15-10-14-16(24-3)8-13(23-2)9-17(14)25-19(15)22/h4-10H,1-3H3,(H,20,21)
InChIKeyLVJZTFWNRWJWOB-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.37
Rot. Bonds4

About 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide

5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 11089072) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID11089072
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1
InChIInChI=1S/C19H17NO5/c1-11-4-6-12(7-5-11)20-18(21)15-10-14-16(24-3)8-13(23-2)9-17(14)25-19(15)22/h4-10H,1-3H3,(H,20,21)
InChIKeyLVJZTFWNRWJWOB-UHFFFAOYSA-N
XLogP3.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383
3-(5,7-dimethoxy-2-oxochromene-3-carbonyl)-5-methoxy-2-oxochromene-7-carbaldehyde
CID 134251996
5,7-dimethoxy-3-[(E)-3-methoxy-3-phenylprop-2-enoyl]chromen-2-one
CID 173186263
ethane;methyl 3-[4-(5,7-dimethoxy-2-oxochromene-3-carbonyl)phenyl]propanoate
CID 142605306
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]-4-methylbenzamide
CID 26773447
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
CID 144546170
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 156695952

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide (CID 11089072) is 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide is COc1cc(OC)c2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1.
What is the InChIKey of 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is LVJZTFWNRWJWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-4-6-12(7-5-11)20-18(21)15-10-14-16(24-3)8-13(23-2)9-17(14)25-19(15)22/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide?
5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 11089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).