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

C19H19N2O5- — CID 9215630

IUPAC2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C19H20N2O5/c1-13(2)26-16-9-7-14(8-10-16)19(24)21-20-11-15-5-3-4-6-17(15)25-12-18(22)23/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-11-
InChIKeySNHULYHKCKIQRN-JAIQZWGSSA-M
MW355.37 g/mol
LogP1.37
Rot. Bonds8

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

2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 9215630) has the molecular formula C19H19N2O5- and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
PubChem CID9215630
Molecular FormulaC19H19N2O5-
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1
InChIInChI=1S/C19H20N2O5/c1-13(2)26-16-9-7-14(8-10-16)19(24)21-20-11-15-5-3-4-6-17(15)25-12-18(22)23/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-11-
InChIKeySNHULYHKCKIQRN-JAIQZWGSSA-M
XLogP1.37
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.37
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-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate (CID 9215630) is 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is CC(C)Oc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)[O-])cc1.
What is the InChIKey of 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is SNHULYHKCKIQRN-JAIQZWGSSA-M. The full InChI is InChI=1S/C19H20N2O5/c1-13(2)26-16-9-7-14(8-10-16)19(24)21-20-11-15-5-3-4-6-17(15)25-12-18(22)23/h3-11,13H,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-11-.
What are the key properties of 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 355.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 9215630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).