4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide

C20H23N3O5 — CID 2427339

IUPAC4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESC=C(NNC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O5/c1-3-28-16-7-4-14(5-8-16)21-19(26)10-11-20(27)23-22-13(2)17-9-6-15(24)12-18(17)25/h4-9,12,22,24-25H,2-3,10-11H2,1H3,(H,21,26)(H,23,27)
InChIKeyPQGQUIXXJZSHKE-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.51
Rot. Bonds9

About 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide

4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 2427339) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID2427339
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
SMILESC=C(NNC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccc(O)cc1O
InChIInChI=1S/C20H23N3O5/c1-3-28-16-7-4-14(5-8-16)21-19(26)10-11-20(27)23-22-13(2)17-9-6-15(24)12-18(17)25/h4-9,12,22,24-25H,2-3,10-11H2,1H3,(H,21,26)(H,23,27)
InChIKeyPQGQUIXXJZSHKE-UHFFFAOYSA-N
XLogP2.51
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
N-(4-ethoxyphenyl)-4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]butanamide
CID 5118299
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4072889
4-[2-(2-chlorobenzoyl)hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4545792
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
N-(4-ethoxyphenyl)-4-oxo-4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]butanamide
CID 6275606
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 3650888
tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide (CID 2427339) is 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is C=C(NNC(=O)CCC(=O)Nc1ccc(OCC)cc1)c1ccc(O)cc1O.
What is the InChIKey of 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is PQGQUIXXJZSHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-3-28-16-7-4-14(5-8-16)21-19(26)10-11-20(27)23-22-13(2)17-9-6-15(24)12-18(17)25/h4-9,12,22,24-25H,2-3,10-11H2,1H3,(H,21,26)(H,23,27).
What are the key properties of 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide?
4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 385.42 g/mol, XLogP of 2.51, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 2427339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).