2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H27NO7 — CID 4837385

IUPAC2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C24H27NO7/c1-14-17(24(27)32-21-12-16(28-2)11-20(31-5)23(14)21)13-22(26)25-9-8-15-6-7-18(29-3)19(10-15)30-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26)
InChIKeyXWEJXFPRQATEPN-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.04
Rot. Bonds9

About 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 4837385) has the molecular formula C24H27NO7 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID4837385
Molecular FormulaC24H27NO7
Molecular Weight441.48 g/mol
Exact Mass441.18
IUPAC Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1
InChIInChI=1S/C24H27NO7/c1-14-17(24(27)32-21-12-16(28-2)11-20(31-5)23(14)21)13-22(26)25-9-8-15-6-7-18(29-3)19(10-15)30-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26)
InChIKeyXWEJXFPRQATEPN-UHFFFAOYSA-N
XLogP3.04
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4914071
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 56763626
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 6217000
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 3791578
N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4970017
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(3-methylbutyl)acetamide
CID 4967829
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4975363

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 4837385) is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1cc(OC)c2c(C)c(CC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)oc2c1.
What is the InChIKey of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is XWEJXFPRQATEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7/c1-14-17(24(27)32-21-12-16(28-2)11-20(31-5)23(14)21)13-22(26)25-9-8-15-6-7-18(29-3)19(10-15)30-4/h6-7,10-12H,8-9,13H2,1-5H3,(H,25,26).
What are the key properties of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 4837385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).