N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide

C29H28N2O4 — CID 3137826

IUPACN'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C(NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C29H28N2O4/c1-34-25-19-18-22(20-26(25)35-2)27(21-12-6-3-7-13-21)30-31-28(32)29(33,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20,27,30,33H,1-2H3,(H,31,32)
InChIKeyAAIPABZBZYFUCI-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.35
Rot. Bonds9

About N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide

N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide (PubChem CID 3137826) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide
PubChem CID3137826
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC NameN'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C(NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C29H28N2O4/c1-34-25-19-18-22(20-26(25)35-2)27(21-12-6-3-7-13-21)30-31-28(32)29(33,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20,27,30,33H,1-2H3,(H,31,32)
InChIKeyAAIPABZBZYFUCI-UHFFFAOYSA-N
XLogP4.35
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide (CID 3137826) is N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide is COc1ccc(C(NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide?
The InChIKey is AAIPABZBZYFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4/c1-34-25-19-18-22(20-26(25)35-2)27(21-12-6-3-7-13-21)30-31-28(32)29(33,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-20,27,30,33H,1-2H3,(H,31,32).
What are the key properties of N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide?
N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide has a molecular weight of 468.55 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)-phenylmethyl]-2-hydroxy-2,2-diphenylacetohydrazide is sourced from PubChem (CID 3137826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).