8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide

C16H19NO5 — CID 16645433

IUPAC8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCCOC)c(=O)oc12
InChIInChI=1S/C16H19NO5/c1-3-21-13-7-4-6-11-10-12(16(19)22-14(11)13)15(18)17-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyJIYLUXQSJSRPEH-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.96
Rot. Bonds7

About 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide

8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide (PubChem CID 16645433) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
PubChem CID16645433
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCCOC)c(=O)oc12
InChIInChI=1S/C16H19NO5/c1-3-21-13-7-4-6-11-10-12(16(19)22-14(11)13)15(18)17-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyJIYLUXQSJSRPEH-UHFFFAOYSA-N
XLogP1.96
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.96
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 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543
8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
CID 41246831
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N'-(2-hydroxy-5-methoxybenzoyl)-2-oxochromene-3-carbohydrazide
CID 146000873
N'-(3-chlorobenzoyl)-8-ethoxy-2-oxochromene-3-carbohydrazide
CID 16645463
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide (CID 16645433) is 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCCCOC)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The InChIKey is JIYLUXQSJSRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-3-21-13-7-4-6-11-10-12(16(19)22-14(11)13)15(18)17-8-5-9-20-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16645433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).