7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide

C32H43N3O6 — CID 123815575

IUPAC7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCC(C)(CC)OCC(C)(C)C(=O)NCCc3ccc(O)cc3)c(=O)oc2c1
InChIInChI=1S/C32H43N3O6/c1-7-32(6,40-21-31(4,5)30(39)33-17-16-22-10-14-25(36)15-11-22)20-34-28(37)26-18-23-12-13-24(35(8-2)9-3)19-27(23)41-29(26)38/h10-15,18-19,36H,7-9,16-17,20-21H2,1-6H3,(H,33,39)(H,34,37)
InChIKeyIOSILAPWMUJQAP-UHFFFAOYSA-N
MW565.71 g/mol
LogP4.64
Rot. Bonds14

About 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide

7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide (PubChem CID 123815575) has the molecular formula C32H43N3O6 and a molecular weight of 565.71 g/mol. Its IUPAC name is 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide
PubChem CID123815575
Molecular FormulaC32H43N3O6
Molecular Weight565.71 g/mol
Exact Mass565.32
IUPAC Name7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc2cc(C(=O)NCC(C)(CC)OCC(C)(C)C(=O)NCCc3ccc(O)cc3)c(=O)oc2c1
InChIInChI=1S/C32H43N3O6/c1-7-32(6,40-21-31(4,5)30(39)33-17-16-22-10-14-25(36)15-11-22)20-34-28(37)26-18-23-12-13-24(35(8-2)9-3)19-27(23)41-29(26)38/h10-15,18-19,36H,7-9,16-17,20-21H2,1-6H3,(H,33,39)(H,34,37)
InChIKeyIOSILAPWMUJQAP-UHFFFAOYSA-N
XLogP4.64
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.71
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
3-[1-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-2-methylbutan-2-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 87061129
4-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]butyl dihydrogen phosphate
CID 25193373
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
N-(5-amino-7,7-dimethyl-6-methylideneoctyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 123776814
7-hydroxy-N-[4-[5-[2-(4-hydroxyphenyl)ethylamino]-2-methyl-5-oxopentan-2-yl]oxy-2-methylbutan-2-yl]-2-oxochromene-3-carboxamide
CID 166082862
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 118708727
3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-[[7-(diethylamino)-2-oxochromene-3-carbonyl]amino]propoxy]propanoic acid
CID 87184011
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide (CID 123815575) is 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide is CCN(CC)c1ccc2cc(C(=O)NCC(C)(CC)OCC(C)(C)C(=O)NCCc3ccc(O)cc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide?
The InChIKey is IOSILAPWMUJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O6/c1-7-32(6,40-21-31(4,5)30(39)33-17-16-22-10-14-25(36)15-11-22)20-34-28(37)26-18-23-12-13-24(35(8-2)9-3)19-27(23)41-29(26)38/h10-15,18-19,36H,7-9,16-17,20-21H2,1-6H3,(H,33,39)(H,34,37).
What are the key properties of 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide?
7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide has a molecular weight of 565.71 g/mol, XLogP of 4.64, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-N-[2-[3-[2-(4-hydroxyphenyl)ethylamino]-2,2-dimethyl-3-oxopropoxy]-2-methylbutyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 123815575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).