2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide

C18H18N2O2 — CID 2255949

IUPAC2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
SMILESC=C(/C=C/c1ccccc1)NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)19-20-18(21)14-22-17-10-6-3-7-11-17/h2-13,19H,1,14H2,(H,20,21)/b13-12+
InChIKeyHXGQECVGZRUZFC-OUKQBFOZSA-N
MW294.35 g/mol
LogP2.91
Rot. Bonds7

About 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide

2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide (PubChem CID 2255949) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
PubChem CID2255949
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
SMILESC=C(/C=C/c1ccccc1)NNC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)19-20-18(21)14-22-17-10-6-3-7-11-17/h2-13,19H,1,14H2,(H,20,21)/b13-12+
InChIKeyHXGQECVGZRUZFC-OUKQBFOZSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxyacetyl) (E)-3-phenylprop-2-enoate
CID 174397517
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
(3E,5E)-1-phenoxy-6-phenylhexa-3,5-dien-2-one
CID 51040868
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide
CID 4034087
N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4606921
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
4-oxo-4-[2-(2-phenoxyacetyl)hydrazinyl]butanoate
CID 7027212
(E)-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017777
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide?
The IUPAC name of 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide (CID 2255949) is 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide.
What is the SMILES notation for 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide?
The canonical SMILES for 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide is C=C(/C=C/c1ccccc1)NNC(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide?
The InChIKey is HXGQECVGZRUZFC-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-15(12-13-16-8-4-2-5-9-16)19-20-18(21)14-22-17-10-6-3-7-11-17/h2-13,19H,1,14H2,(H,20,21)/b13-12+.
What are the key properties of 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide?
2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide has a molecular weight of 294.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide is sourced from PubChem (CID 2255949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).