N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide

C24H26N2O4 — CID 135576365

IUPACN-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide
SMILESCCCCCCc1cc2cc(/C(C)=N/NC(=O)c3ccccc3)c(=O)oc2cc1O
InChIInChI=1S/C24H26N2O4/c1-3-4-5-7-12-18-13-19-14-20(24(29)30-22(19)15-21(18)27)16(2)25-26-23(28)17-10-8-6-9-11-17/h6,8-11,13-15,27H,3-5,7,12H2,1-2H3,(H,26,28)/b25-16+
InChIKeyHDEZNVMNXXZUKB-PCLIKHOPSA-N
MW406.48 g/mol
LogP4.78
Rot. Bonds8

About N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide

N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide (PubChem CID 135576365) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide
PubChem CID135576365
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide
SMILESCCCCCCc1cc2cc(/C(C)=N/NC(=O)c3ccccc3)c(=O)oc2cc1O
InChIInChI=1S/C24H26N2O4/c1-3-4-5-7-12-18-13-19-14-20(24(29)30-22(19)15-21(18)27)16(2)25-26-23(28)17-10-8-6-9-11-17/h6,8-11,13-15,27H,3-5,7,12H2,1-2H3,(H,26,28)/b25-16+
InChIKeyHDEZNVMNXXZUKB-PCLIKHOPSA-N
XLogP4.78
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

6-hexyl-7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135613754
6-hexyl-7-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)chromen-2-one
CID 135486486
N-[(Z)-[amino-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)methylidene]amino]-4-nitrobenzamide
CID 135549505
6-hexyl-7-hydroxy-3-(3-phenylprop-2-enoyl)chromen-2-one
CID 71835705
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
6-hexyl-7-hydroxy-3-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 135449555
6-hexyl-7-hydroxy-3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one
CID 135492075
6-hexyl-7-methoxy-2-oxochromene-3-carboxylic acid
CID 23085549
ethyl N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]carbamate
CID 8972749
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-hexyl-7-hydroxychromen-2-one
CID 135419102
6-hexyl-7-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)chromen-2-one
CID 135530232
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide (CID 135576365) is N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide is CCCCCCc1cc2cc(/C(C)=N/NC(=O)c3ccccc3)c(=O)oc2cc1O.
What is the InChIKey of N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide?
The InChIKey is HDEZNVMNXXZUKB-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-3-4-5-7-12-18-13-19-14-20(24(29)30-22(19)15-21(18)27)16(2)25-26-23(28)17-10-8-6-9-11-17/h6,8-11,13-15,27H,3-5,7,12H2,1-2H3,(H,26,28)/b25-16+.
What are the key properties of N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide?
N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide has a molecular weight of 406.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethylideneamino]benzamide is sourced from PubChem (CID 135576365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).