[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate

C24H20N2O5 — CID 126046553

IUPAC[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C24H20N2O5/c1-16-10-12-18(13-11-16)24(30)31-21-9-5-2-6-17(21)14-15-22(28)25-26-23(29)19-7-3-4-8-20(19)27/h2-15,27H,1H3,(H,25,28)(H,26,29)/b15-14+
InChIKeySNYIPJBKQDLIMF-CCEZHUSRSA-N
MW416.43 g/mol
LogP3.39
Rot. Bonds5

About [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate

[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate (PubChem CID 126046553) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
PubChem CID126046553
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C24H20N2O5/c1-16-10-12-18(13-11-16)24(30)31-21-9-5-2-6-17(21)14-15-22(28)25-26-23(29)19-7-3-4-8-20(19)27/h2-15,27H,1H3,(H,25,28)(H,26,29)/b15-14+
InChIKeySNYIPJBKQDLIMF-CCEZHUSRSA-N
XLogP3.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate 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

[2-[(E)-3-oxo-3-[2-[4-[(2-phenylacetyl)amino]benzoyl]hydrazinyl]prop-1-enyl]phenyl] 4-methylbenzoate
CID 126046857
[2-[(E)-3-[2-[4-(2-methylpropanoylamino)benzoyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate
CID 126043862
[2-[(E)-3-[2-[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-chlorobenzoate
CID 126045038
[2-[(E)-3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]anilino]-3-oxoprop-1-enyl]phenyl] benzoate
CID 21369149
[2-[(E)-3-[2-[4-(2-methylpropanoylamino)benzoyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-nitrobenzoate
CID 126045581
[2-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 4-nitrobenzoate
CID 3491631
[2-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
CID 3526792
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
[2-[(E)-3-[2-(4-acetamidobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 2,4-dichlorobenzoate
CID 126038628
2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9340094
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The IUPAC name of [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate (CID 126046553) is [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate.
What is the SMILES notation for [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The canonical SMILES for [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
The InChIKey is SNYIPJBKQDLIMF-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-16-10-12-18(13-11-16)24(30)31-21-9-5-2-6-17(21)14-15-22(28)25-26-23(29)19-7-3-4-8-20(19)27/h2-15,27H,1H3,(H,25,28)(H,26,29)/b15-14+.
What are the key properties of [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate?
[2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate is sourced from PubChem (CID 126046553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).