[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate

C29H22N2O4 — CID 126043197

IUPAC[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C29H22N2O4/c32-27(30-31-29(34)25-15-8-13-22-11-4-6-14-24(22)25)19-18-23-12-5-7-16-26(23)35-28(33)20-17-21-9-2-1-3-10-21/h1-20H,(H,30,32)(H,31,34)/b19-18+,20-17+
InChIKeyBHRFPXVJTLLJGB-LKRWSQIDSA-N
MW462.51 g/mol
LogP4.93
Rot. Bonds6

About [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate

[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 126043197) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID126043197
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC Name[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C29H22N2O4/c32-27(30-31-29(34)25-15-8-13-22-11-4-6-14-24(22)25)19-18-23-12-5-7-16-26(23)35-28(33)20-17-21-9-2-1-3-10-21/h1-20H,(H,30,32)(H,31,34)/b19-18+,20-17+
InChIKeyBHRFPXVJTLLJGB-LKRWSQIDSA-N
XLogP4.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate 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-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040700
naphthalen-1-yl 3-phenylprop-2-enoate
CID 788595
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
[2-[(E)-3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126035920
[2-[(E)-3-oxo-3-[2-[4-[(2-phenylacetyl)amino]benzoyl]hydrazinyl]prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 126040445
[1-[[2-(3-phenylprop-2-enoyloxy)naphthalen-1-yl]methyl]naphthalen-2-yl] 3-phenylprop-2-enoate
CID 582973
[2-[(E)-3-[2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]-3-oxoprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126020848
(E)-3-naphthalen-1-yl-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6234474
2-(3-phenylprop-2-enoyloxy)naphthalene-1-carboxylic acid
CID 54563578
methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
(2-carbamoylphenyl) 3-phenylprop-2-enoate
CID 142713579
2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 9340094

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate (CID 126043197) is [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is BHRFPXVJTLLJGB-LKRWSQIDSA-N. The full InChI is InChI=1S/C29H22N2O4/c32-27(30-31-29(34)25-15-8-13-22-11-4-6-14-24(22)25)19-18-23-12-5-7-16-26(23)35-28(33)20-17-21-9-2-1-3-10-21/h1-20H,(H,30,32)(H,31,34)/b19-18+,20-17+.
What are the key properties of [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate?
[2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 462.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-3-[2-(naphthalene-1-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 126043197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).