4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate

C19H16N3O4- — CID 4178971

IUPAC4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(C=Cc1ccccc1)NCC(=O)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C19H17N3O4/c23-17(11-8-14-4-2-1-3-5-14)20-13-18(24)22-21-12-15-6-9-16(10-7-15)19(25)26/h1-12H,13H2,(H,20,23)(H,22,24)(H,25,26)/p-1
InChIKeySRVTXFSANWBTDN-UHFFFAOYSA-M
MW350.35 g/mol
LogP0.33
Rot. Bonds7

About 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate

4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 4178971) has the molecular formula C19H16N3O4- and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID4178971
Molecular FormulaC19H16N3O4-
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(C=Cc1ccccc1)NCC(=O)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C19H17N3O4/c23-17(11-8-14-4-2-1-3-5-14)20-13-18(24)22-21-12-15-6-9-16(10-7-15)19(25)26/h1-12H,13H2,(H,20,23)(H,22,24)(H,25,26)/p-1
InChIKeySRVTXFSANWBTDN-UHFFFAOYSA-M
XLogP0.33
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate 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

4-[(Z)-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoate
CID 6029436
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 4178968
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
4-[(E)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 5333573
4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7034323
4-[[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4178970
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 136714331
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate (CID 4178971) is 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate is O=C(C=Cc1ccccc1)NCC(=O)NN=Cc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is SRVTXFSANWBTDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17N3O4/c23-17(11-8-14-4-2-1-3-5-14)20-13-18(24)22-21-12-15-6-9-16(10-7-15)19(25)26/h1-12H,13H2,(H,20,23)(H,22,24)(H,25,26)/p-1.
What are the key properties of 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate?
4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 350.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 4178971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).