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

C17H20ClNO5 — CID 4793959

IUPAC2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C17H20ClNO5/c1-3-22-6-4-5-19-16(20)10-23-15-9-14-12(8-13(15)18)11(2)7-17(21)24-14/h7-9H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyQZGPAEZSISQBRU-UHFFFAOYSA-N
MW353.80 g/mol
LogP2.68
Rot. Bonds8

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

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide (PubChem CID 4793959) has the molecular formula C17H20ClNO5 and a molecular weight of 353.80 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
PubChem CID4793959
Molecular FormulaC17H20ClNO5
Molecular Weight353.80 g/mol
Exact Mass353.10
IUPAC Name2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl
InChIInChI=1S/C17H20ClNO5/c1-3-22-6-4-5-19-16(20)10-23-15-9-14-12(8-13(15)18)11(2)7-17(21)24-14/h7-9H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyQZGPAEZSISQBRU-UHFFFAOYSA-N
XLogP2.68
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide (CID 4793959) is 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide?
The InChIKey is QZGPAEZSISQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5/c1-3-22-6-4-5-19-16(20)10-23-15-9-14-12(8-13(15)18)11(2)7-17(21)24-14/h7-9H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide?
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide has a molecular weight of 353.80 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 4793959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).