N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide

C22H23N3O3 — CID 5452614

IUPACN-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
SMILESCCN(CC)c1ccc2cc(/C(C)=N\NC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)18-12-11-17-13-19(22(27)28-20(17)14-18)15(3)23-24-21(26)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26)/b23-15-
InChIKeyGOEVDQMMBBSQDH-HAHDFKILSA-N
MW377.44 g/mol
LogP3.79
Rot. Bonds6

About N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide

N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide (PubChem CID 5452614) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
PubChem CID5452614
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
SMILESCCN(CC)c1ccc2cc(/C(C)=N\NC(=O)c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C22H23N3O3/c1-4-25(5-2)18-12-11-17-13-19(22(27)28-20(17)14-18)15(3)23-24-21(26)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26)/b23-15-
InChIKeyGOEVDQMMBBSQDH-HAHDFKILSA-N
XLogP3.79
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]thiourea
CID 5403478
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide
CID 135576365
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
7-(diethylamino)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]chromene-3-carboxamide
CID 3231416
7-(diethylamino)-3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]chromen-2-one
CID 102079905
copper;7-(diethylamino)-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 159081950
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide?
The IUPAC name of N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide (CID 5452614) is N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide?
The canonical SMILES for N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide is CCN(CC)c1ccc2cc(/C(C)=N\NC(=O)c3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide?
The InChIKey is GOEVDQMMBBSQDH-HAHDFKILSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-25(5-2)18-12-11-17-13-19(22(27)28-20(17)14-18)15(3)23-24-21(26)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26)/b23-15-.
What are the key properties of N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide?
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide is sourced from PubChem (CID 5452614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).