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

C22H24N2O4 — CID 1152097

IUPAC7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O
InChIInChI=1S/C22H24N2O4/c1-4-24(5-2)16-12-11-15-13-17(22(26)28-20(15)14-16)21(25)23-18-9-7-8-10-19(18)27-6-3/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyCLYDXBUFEZYFHX-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.29
Rot. Bonds7

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

7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide (PubChem CID 1152097) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
PubChem CID1152097
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O
InChIInChI=1S/C22H24N2O4/c1-4-24(5-2)16-12-11-15-13-17(22(26)28-20(15)14-16)21(25)23-18-9-7-8-10-19(18)27-6-3/h7-14H,4-6H2,1-3H3,(H,23,25)
InChIKeyCLYDXBUFEZYFHX-UHFFFAOYSA-N
XLogP4.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-N-[2-(2-ethyltetrazol-5-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3862634
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
7-(diethylamino)-3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]chromen-2-one
CID 102079905
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide (CID 1152097) is 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide is CCOc1ccccc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O.
What is the InChIKey of 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is CLYDXBUFEZYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-24(5-2)16-12-11-15-13-17(22(26)28-20(15)14-16)21(25)23-18-9-7-8-10-19(18)27-6-3/h7-14H,4-6H2,1-3H3,(H,23,25).
What are the key properties of 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1152097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).