propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

C20H22N2O5 — CID 6148234

IUPACpropan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1
InChIInChI=1S/C20H22N2O5/c1-14(2)27-19(23)13-26-16-10-8-15(9-11-16)12-21-22-20(24)17-6-4-5-7-18(17)25-3/h4-12,14H,13H2,1-3H3,(H,22,24)/b21-12-
InChIKeyQRHAZLNZKPORAI-MTJSOVHGSA-N
MW370.41 g/mol
LogP2.79
Rot. Bonds8

About propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate

propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 6148234) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID6148234
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namepropan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCOc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1
InChIInChI=1S/C20H22N2O5/c1-14(2)27-19(23)13-26-16-10-8-15(9-11-16)12-21-22-20(24)17-6-4-5-7-18(17)25-3/h4-12,14H,13H2,1-3H3,(H,22,24)/b21-12-
InChIKeyQRHAZLNZKPORAI-MTJSOVHGSA-N
XLogP2.79
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
methyl 2-[4-[(Z)-[(2,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6246445
propan-2-yl 2-[4-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126193130
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 5426953
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
methyl 2-[4-[(Z)-[(2-methoxy-5-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126182183
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 6148234) is propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is COc1ccccc1C(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is QRHAZLNZKPORAI-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(2)27-19(23)13-26-16-10-8-15(9-11-16)12-21-22-20(24)17-6-4-5-7-18(17)25-3/h4-12,14H,13H2,1-3H3,(H,22,24)/b21-12-.
What are the key properties of propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 6148234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).