N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide

C19H17NO5 — CID 100794447

IUPACN-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C19H17NO5/c1-11-4-6-16-12(8-11)9-14(19(22)25-16)18(21)20-15-10-13(23-2)5-7-17(15)24-3/h4-10H,1-3H3,(H,20,21)
InChIKeyCRVPECPNWOUQAZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.37
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 100794447) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
PubChem CID100794447
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC NameN-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
InChIInChI=1S/C19H17NO5/c1-11-4-6-16-12(8-11)9-14(19(22)25-16)18(21)20-15-10-13(23-2)5-7-17(15)24-3/h4-10H,1-3H3,(H,20,21)
InChIKeyCRVPECPNWOUQAZ-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

6-chloro-N-(2,5-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 7223522
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 19207195
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-(2,5-dichlorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 1337843
6-bromo-N-(5-tert-butyl-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 2102409
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794377
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide (CID 100794447) is N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3cc(C)ccc3oc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is CRVPECPNWOUQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-4-6-16-12(8-11)9-14(19(22)25-16)18(21)20-15-10-13(23-2)5-7-17(15)24-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-methyl-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 N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).