7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide

C23H26N2O4 — CID 2968471

IUPAC7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-4-13-28-19-11-8-17(9-12-19)24-22(26)20-14-16-7-10-18(25(5-2)6-3)15-21(16)29-23(20)27/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyUBDGQDBSPVONNE-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.68
Rot. Bonds8

About 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide

7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide (PubChem CID 2968471) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
PubChem CID2968471
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc1
InChIInChI=1S/C23H26N2O4/c1-4-13-28-19-11-8-17(9-12-19)24-22(26)20-14-16-7-10-18(25(5-2)6-3)15-21(16)29-23(20)27/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyUBDGQDBSPVONNE-UHFFFAOYSA-N
XLogP4.68
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.68
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

N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
N-[4-(cyclopentylsulfamoyl)phenyl]-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 1152121
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide (CID 2968471) is 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide is CCCOc1ccc(NC(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)cc1.
What is the InChIKey of 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
The InChIKey is UBDGQDBSPVONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-13-28-19-11-8-17(9-12-19)24-22(26)20-14-16-7-10-18(25(5-2)6-3)15-21(16)29-23(20)27/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,26).
What are the key properties of 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide?
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 2968471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).