4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide

C21H20N2O4 — CID 123810304

IUPAC4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide
SMILESCCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(C(N)=O)cc3)cc2)o1
InChIInChI=1S/C21H20N2O4/c1-2-17-11-18(24)20(25)19(27-17)12-23-16-9-7-14(8-10-16)13-3-5-15(6-4-13)21(22)26/h3-11,23,25H,2,12H2,1H3,(H2,22,26)
InChIKeyHVGOAXJCHBISRR-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.29
Rot. Bonds6

About 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide

4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide (PubChem CID 123810304) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide
PubChem CID123810304
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide
SMILESCCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(C(N)=O)cc3)cc2)o1
InChIInChI=1S/C21H20N2O4/c1-2-17-11-18(24)20(25)19(27-17)12-23-16-9-7-14(8-10-16)13-3-5-15(6-4-13)21(22)26/h3-11,23,25H,2,12H2,1H3,(H2,22,26)
InChIKeyHVGOAXJCHBISRR-UHFFFAOYSA-N
XLogP3.29
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide 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

N-(4-methylphenyl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
CID 11957192
N-(4-{[(4-Ethylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
CID 20954918
4-[[[3-Hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-phenylmethyl]amino]benzamide
CID 162651135
4-[Anilino-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]benzamide
CID 162674995
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-methyl-N-(4-piperidin-3-ylphenyl)benzamide
CID 53252041
N-[4-(morpholin-4-ylmethyl)phenyl]-4-propan-2-ylbenzamide
CID 755590
4-acetyl-N-[4-(4-morpholinyl)phenyl]benzamide
CID 803418
N-[(4-acetamidophenyl)methyl]-4-tert-butylbenzamide
CID 137658784
N-(4-benzoylphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171353147
2-((4-(4-acetylphenyl)piperazin-1-yl)methyl)-3-hydroxy-6-methyl-4H-pyran-4-one
CID 11393717
4-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)benzamide
CID 25861390

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide?
The IUPAC name of 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide (CID 123810304) is 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide.
What is the SMILES notation for 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide?
The canonical SMILES for 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide is CCc1cc(=O)c(O)c(CNc2ccc(-c3ccc(C(N)=O)cc3)cc2)o1.
What is the InChIKey of 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide?
The InChIKey is HVGOAXJCHBISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-17-11-18(24)20(25)19(27-17)12-23-16-9-7-14(8-10-16)13-3-5-15(6-4-13)21(22)26/h3-11,23,25H,2,12H2,1H3,(H2,22,26).
What are the key properties of 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide?
4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide has a molecular weight of 364.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-ethyl-3-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]benzamide is sourced from PubChem (CID 123810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).