2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide

C18H21ClN2O6 — CID 4823286

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C18H21ClN2O6/c1-3-25-6-4-5-20-18(24)21-16(22)10-26-15-9-14-12(8-13(15)19)11(2)7-17(23)27-14/h7-9H,3-6,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyOQTFRCDBTZMGQV-UHFFFAOYSA-N
MW396.83 g/mol
LogP2.39
Rot. Bonds8

About 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide (PubChem CID 4823286) has the molecular formula C18H21ClN2O6 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
PubChem CID4823286
Molecular FormulaC18H21ClN2O6
Molecular Weight396.83 g/mol
Exact Mass396.11
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide
SMILESCCOCCCNC(=O)NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C18H21ClN2O6/c1-3-25-6-4-5-20-18(24)21-16(22)10-26-15-9-14-12(8-13(15)19)11(2)7-17(23)27-14/h7-9H,3-6,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyOQTFRCDBTZMGQV-UHFFFAOYSA-N
XLogP2.39
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
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)oxyacetic acid
CID 782909
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 41350294
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4823564
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2-chloro-4-methylphenyl)acetamide
CID 4823620
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
7-chloro-4-methyl-6-(2-oxopropoxy)chromen-2-one
CID 673994

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide (CID 4823286) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide is CCOCCCNC(=O)NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide?
The InChIKey is OQTFRCDBTZMGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O6/c1-3-25-6-4-5-20-18(24)21-16(22)10-26-15-9-14-12(8-13(15)19)11(2)7-17(23)27-14/h7-9H,3-6,10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropylcarbamoyl)acetamide has a molecular weight of 396.83 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 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-(3-ethoxypropylcarbamoyl)acetamide is sourced from PubChem (CID 4823286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).