[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate

C19H20N2O4 — CID 6382908

IUPAC[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-12-24-17-10-6-16(7-11-17)19(23)25-18-8-4-15(5-9-18)13-20-21-14(2)22/h4-11,13H,3,12H2,1-2H3,(H,21,22)/b20-13-
InChIKeyMHWPQYCYUGFAKQ-MOSHPQCFSA-N
MW340.38 g/mol
LogP3.16
Rot. Bonds7

About [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate

[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate (PubChem CID 6382908) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
PubChem CID6382908
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-12-24-17-10-6-16(7-11-17)19(23)25-18-8-4-15(5-9-18)13-20-21-14(2)22/h4-11,13H,3,12H2,1-2H3,(H,21,22)/b20-13-
InChIKeyMHWPQYCYUGFAKQ-MOSHPQCFSA-N
XLogP3.16
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6029290
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
[4-[(acetylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5115377
[4-[(acetylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 4148023
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3255877
[4-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6011084
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6047587
[4-[5-[[4-(4-propoxybenzoyl)oxyphenyl]methylideneamino]pentyliminomethyl]phenyl] 4-propoxybenzoate
CID 101016578
[4-[(carbamoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 3742555

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The IUPAC name of [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate (CID 6382908) is [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate.
What is the SMILES notation for [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The canonical SMILES for [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)Oc2ccc(/C=N\NC(C)=O)cc2)cc1.
What is the InChIKey of [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The InChIKey is MHWPQYCYUGFAKQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-12-24-17-10-6-16(7-11-17)19(23)25-18-8-4-15(5-9-18)13-20-21-14(2)22/h4-11,13H,3,12H2,1-2H3,(H,21,22)/b20-13-.
What are the key properties of [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate has a molecular weight of 340.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate is sourced from PubChem (CID 6382908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).