methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate

C24H22N2O5 — CID 7705020

IUPACmethyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O5/c1-29-19-13-14-20(24(28)30-2)21(15-19)31-16-22(27)25-26-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeySEXUVSAWOSRORB-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.43
Rot. Bonds8

About methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 7705020) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
PubChem CID7705020
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Namemethyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O5/c1-29-19-13-14-20(24(28)30-2)21(15-19)31-16-22(27)25-26-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeySEXUVSAWOSRORB-UHFFFAOYSA-N
XLogP3.43
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.43
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-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
N-(benzhydrylideneamino)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695561
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]benzamide
CID 7642098
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
methyl 2-[2-(2-chlorophenoxy)ethoxy]-4-methoxybenzoate
CID 78766506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate (CID 7705020) is methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is SEXUVSAWOSRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-29-19-13-14-20(24(28)30-2)21(15-19)31-16-22(27)25-26-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 418.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 7705020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).