3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide

C18H18N2O6 — CID 136502482

IUPAC3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(/N=C(\C)c2c(O)c(C(C)=O)c(O)oc2=O)c1
InChIInChI=1S/C18H18N2O6/c1-4-19-16(23)11-6-5-7-12(8-11)20-9(2)13-15(22)14(10(3)21)18(25)26-17(13)24/h5-8,22,25H,4H2,1-3H3,(H,19,23)/b20-9+
InChIKeyRNXBLONQYWONOC-AWQFTUOYSA-N
MW358.35 g/mol
LogP2.14
Rot. Bonds5

About 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide

3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide (PubChem CID 136502482) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide
PubChem CID136502482
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(/N=C(\C)c2c(O)c(C(C)=O)c(O)oc2=O)c1
InChIInChI=1S/C18H18N2O6/c1-4-19-16(23)11-6-5-7-12(8-11)20-9(2)13-15(22)14(10(3)21)18(25)26-17(13)24/h5-8,22,25H,4H2,1-3H3,(H,19,23)/b20-9+
InChIKeyRNXBLONQYWONOC-AWQFTUOYSA-N
XLogP2.14
TPSA129.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetyl-N-[3-(ethylcarbamoyl)phenyl]-2,4-dihydroxy-6-oxopyran-3-carboxamide
CID 136609998
2-[3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]phenyl]guanidine;nitric acid
CID 136502460
3-[(1-amino-2-chloroethylidene)amino]-N-ethylbenzamide
CID 169365696
3,5-diacetyl-4,6-dihydroxypyran-2-one
CID 135465969
N-ethyl-3-hydroxybenzamide
CID 13175248
5-acetyl-4,6-dihydroxy-3-(C-methyl-N-undecylcarbonimidoyl)pyran-2-one
CID 135764974
5-acetyl-2,4-dihydroxy-6-oxo-N-[4-(propanoylamino)phenyl]pyran-3-carboxamide
CID 136610021
3-acetamido-N-ethylbenzamide
CID 17230670
[3-(ethylcarbamoyl)phenyl]boronic acid
CID 3607123
5-acetyl-2,4-dihydroxy-N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 136610060
5-acetyl-2,4-dihydroxy-6-oxo-N-(3,4,5-trihydroxyphenyl)pyran-3-carboxamide
CID 136610018
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide?
The IUPAC name of 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide (CID 136502482) is 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide?
The canonical SMILES for 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide is CCNC(=O)c1cccc(/N=C(\C)c2c(O)c(C(C)=O)c(O)oc2=O)c1.
What is the InChIKey of 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide?
The InChIKey is RNXBLONQYWONOC-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-4-19-16(23)11-6-5-7-12(8-11)20-9(2)13-15(22)14(10(3)21)18(25)26-17(13)24/h5-8,22,25H,4H2,1-3H3,(H,19,23)/b20-9+.
What are the key properties of 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide?
3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide has a molecular weight of 358.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-acetyl-4,6-dihydroxy-2-oxopyran-3-yl)ethylideneamino]-N-ethylbenzamide is sourced from PubChem (CID 136502482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).