methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate

C24H24N2O5 — CID 138654400

IUPACmethyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-29-22(27)15-25-26-24(28)20-13-8-14-21(30-16-18-9-4-2-5-10-18)23(20)31-17-19-11-6-3-7-12-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyVNOFKXNJCRITEW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.25
Rot. Bonds10

About methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate

methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate (PubChem CID 138654400) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
PubChem CID138654400
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namemethyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
SMILESCOC(=O)CNNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C24H24N2O5/c1-29-22(27)15-25-26-24(28)20-13-8-14-21(30-16-18-9-4-2-5-10-18)23(20)31-17-19-11-6-3-7-12-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyVNOFKXNJCRITEW-UHFFFAOYSA-N
XLogP3.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
benzyl (2S)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-hydroxypropanoate
CID 51002849
N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 54474953
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
N-ethyl-N-hydroxy-2,3-bis(phenylmethoxy)benzamide
CID 14717390
N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
CID 57204258
3,4,5-trimethoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4938028
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
(2,5-dioxopyrrolidin-1-yl) 2-[[2,3-bis(phenylmethoxy)benzoyl]-[[2,3-bis(phenylmethoxy)benzoyl]amino]amino]acetate
CID 138654185
N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 46211303
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate?
The IUPAC name of methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate (CID 138654400) is methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate.
What is the SMILES notation for methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate?
The canonical SMILES for methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate is COC(=O)CNNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate?
The InChIKey is VNOFKXNJCRITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-22(27)15-25-26-24(28)20-13-8-14-21(30-16-18-9-4-2-5-10-18)23(20)31-17-19-11-6-3-7-12-19/h2-14,25H,15-17H2,1H3,(H,26,28).
What are the key properties of methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate?
methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate has a molecular weight of 420.47 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate is sourced from PubChem (CID 138654400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).