7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide

C16H20N2O4 — CID 16756041

IUPAC7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCCO)c(=O)oc2c1
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)12-6-5-11-9-13(15(20)17-7-8-19)16(21)22-14(11)10-12/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyRMPMIJCADRBNDW-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.36
Rot. Bonds6

About 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide

7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide (PubChem CID 16756041) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
PubChem CID16756041
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCCO)c(=O)oc2c1
InChIInChI=1S/C16H20N2O4/c1-3-18(4-2)12-6-5-11-9-13(15(20)17-7-8-19)16(21)22-14(11)10-12/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,20)
InChIKeyRMPMIJCADRBNDW-UHFFFAOYSA-N
XLogP1.36
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(diethylamino)-N-(2-hydroxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide (CID 16756041) is 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)NCCO)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
The InChIKey is RMPMIJCADRBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-18(4-2)12-6-5-11-9-13(15(20)17-7-8-19)16(21)22-14(11)10-12/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,20).
What are the key properties of 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16756041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).