(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide

C26H23N7O3 — CID 55376248

IUPAC(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N7O3/c34-23(16-13-19-7-3-1-4-8-19)27-17-24(35)28-30-26(36)22-14-11-20(12-15-22)18-33-31-25(29-32-33)21-9-5-2-6-10-21/h1-16H,17-18H2,(H,27,34)(H,28,35)(H,30,36)/b16-13+
InChIKeyOMVMRDRGDQLLAX-DTQAZKPQSA-N
MW481.52 g/mol
LogP1.98
Rot. Bonds8

About (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide (PubChem CID 55376248) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
PubChem CID55376248
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N7O3/c34-23(16-13-19-7-3-1-4-8-19)27-17-24(35)28-30-26(36)22-14-11-20(12-15-22)18-33-31-25(29-32-33)21-9-5-2-6-10-21/h1-16H,17-18H2,(H,27,34)(H,28,35)(H,30,36)/b16-13+
InChIKeyOMVMRDRGDQLLAX-DTQAZKPQSA-N
XLogP1.98
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide 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

3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709841
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
CID 154859144
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24541975
N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide (CID 55376248) is (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
The InChIKey is OMVMRDRGDQLLAX-DTQAZKPQSA-N. The full InChI is InChI=1S/C26H23N7O3/c34-23(16-13-19-7-3-1-4-8-19)27-17-24(35)28-30-26(36)22-14-11-20(12-15-22)18-33-31-25(29-32-33)21-9-5-2-6-10-21/h1-16H,17-18H2,(H,27,34)(H,28,35)(H,30,36)/b16-13+.
What are the key properties of (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide has a molecular weight of 481.52 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 55376248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).