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

C17H20ClNO4 — CID 4823481

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)c(Cl)cc12
InChIInChI=1S/C17H20ClNO4/c1-10(2)4-5-19-16(20)9-22-15-8-14-12(7-13(15)18)11(3)6-17(21)23-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyZUSBEEVWAASVPC-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.30
Rot. Bonds6

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

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide (PubChem CID 4823481) has the molecular formula C17H20ClNO4 and a molecular weight of 337.80 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
PubChem CID4823481
Molecular FormulaC17H20ClNO4
Molecular Weight337.80 g/mol
Exact Mass337.11
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)c(Cl)cc12
InChIInChI=1S/C17H20ClNO4/c1-10(2)4-5-19-16(20)9-22-15-8-14-12(7-13(15)18)11(3)6-17(21)23-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,20)
InChIKeyZUSBEEVWAASVPC-UHFFFAOYSA-N
XLogP3.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propylacetamide
CID 4823145
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-[2-(4-methoxyphenyl)ethyl]acetamide
CID 41350294
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-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4823564
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 41350251
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4907021
N-(2-chloro-4,6-dimethylphenyl)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7953931
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
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-ethoxypropylcarbamoyl)acetamide
CID 4823286
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(1-phenylbutyl)acetamide
CID 55366055

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide (CID 4823481) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCCC(C)C)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
The InChIKey is ZUSBEEVWAASVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4/c1-10(2)4-5-19-16(20)9-22-15-8-14-12(7-13(15)18)11(3)6-17(21)23-14/h6-8,10H,4-5,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide has a molecular weight of 337.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 4823481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).