2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C20H19NO5 — CID 2166757

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1OC
InChIInChI=1S/C20H19NO5/c1-12-8-20(23)26-17-11-14(5-6-15(12)17)21-19(22)10-13-4-7-16(24-2)18(9-13)25-3/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyOHXMJBYYIGPZNR-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.30
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 2166757) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID2166757
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1OC
InChIInChI=1S/C20H19NO5/c1-12-8-20(23)26-17-11-14(5-6-15(12)17)21-19(22)10-13-4-7-16(24-2)18(9-13)25-3/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyOHXMJBYYIGPZNR-UHFFFAOYSA-N
XLogP3.30
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.30
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-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 55380662
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 171911797
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
tert-butyl N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]carbamate
CID 134137608
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
1-(5-chloro-2-methoxyphenyl)-3-(4-methyl-2-oxochromen-7-yl)thiourea
CID 17299503

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 2166757) is 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is OHXMJBYYIGPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12-8-20(23)26-17-11-14(5-6-15(12)17)21-19(22)10-13-4-7-16(24-2)18(9-13)25-3/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 353.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 2166757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).