7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide

C18H24N2O4 — CID 54453751

IUPAC7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)N(C)CCOC)c(=O)oc2c1
InChIInChI=1S/C18H24N2O4/c1-5-20(6-2)14-8-7-13-11-15(18(22)24-16(13)12-14)17(21)19(3)9-10-23-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyWWSZWQYJLGUBLY-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.36
Rot. Bonds7

About 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide

7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 54453751) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
PubChem CID54453751
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)N(C)CCOC)c(=O)oc2c1
InChIInChI=1S/C18H24N2O4/c1-5-20(6-2)14-8-7-13-11-15(18(22)24-16(13)12-14)17(21)19(3)9-10-23-4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyWWSZWQYJLGUBLY-UHFFFAOYSA-N
XLogP2.36
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
4-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]butyl dihydrogen phosphate
CID 25193373
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
12-[7-(diethylamino)-2-oxochromene-3-carbonyl]oxydodecanoic acid
CID 118604108
7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]propoxy]propanoic acid
CID 87184011
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide (CID 54453751) is 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)N(C)CCOC)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is WWSZWQYJLGUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-20(6-2)14-8-7-13-11-15(18(22)24-16(13)12-14)17(21)19(3)9-10-23-4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54453751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).