2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C22H22ClNO6 — CID 4823564

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1OC
InChIInChI=1S/C22H22ClNO6/c1-13-8-22(26)30-18-11-19(16(23)10-15(13)18)29-12-21(25)24-7-6-14-4-5-17(27-2)20(9-14)28-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,24,25)
InChIKeyBWVNHNRLCKTADQ-UHFFFAOYSA-N
MW431.87 g/mol
LogP3.51
Rot. Bonds8

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 4823564) has the molecular formula C22H22ClNO6 and a molecular weight of 431.87 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID4823564
Molecular FormulaC22H22ClNO6
Molecular Weight431.87 g/mol
Exact Mass431.11
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1OC
InChIInChI=1S/C22H22ClNO6/c1-13-8-22(26)30-18-11-19(16(23)10-15(13)18)29-12-21(25)24-7-6-14-4-5-17(27-2)20(9-14)28-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,24,25)
InChIKeyBWVNHNRLCKTADQ-UHFFFAOYSA-N
XLogP3.51
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 41350294
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
CID 4823481
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
N-[2-[4-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]phenyl]ethyl]acetamide
CID 9487188
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4914071
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
CID 4823286

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 4823564) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc1OC.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is BWVNHNRLCKTADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO6/c1-13-8-22(26)30-18-11-19(16(23)10-15(13)18)29-12-21(25)24-7-6-14-4-5-17(27-2)20(9-14)28-3/h4-5,8-11H,6-7,12H2,1-3H3,(H,24,25).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 431.87 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 4823564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).