N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide

C30H28N2O6 — CID 1046257

IUPACN'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide
SMILESCOc1ccccc1N(NC(=O)C(O)(c1ccccc1OC)c1ccccc1OC)C(=O)c1ccccc1
InChIInChI=1S/C30H28N2O6/c1-36-25-18-10-7-15-22(25)30(35,23-16-8-11-19-26(23)37-2)29(34)31-32(24-17-9-12-20-27(24)38-3)28(33)21-13-5-4-6-14-21/h4-20,35H,1-3H3,(H,31,34)
InChIKeyFYWNIGZFSAGFIW-UHFFFAOYSA-N
MW512.56 g/mol
LogP4.33
Rot. Bonds8

About N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide

N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide (PubChem CID 1046257) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide
PubChem CID1046257
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC NameN'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide
SMILESCOc1ccccc1N(NC(=O)C(O)(c1ccccc1OC)c1ccccc1OC)C(=O)c1ccccc1
InChIInChI=1S/C30H28N2O6/c1-36-25-18-10-7-15-22(25)30(35,23-16-8-11-19-26(23)37-2)29(34)31-32(24-17-9-12-20-27(24)38-3)28(33)21-13-5-4-6-14-21/h4-20,35H,1-3H3,(H,31,34)
InChIKeyFYWNIGZFSAGFIW-UHFFFAOYSA-N
XLogP4.33
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 54.33
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

[2-methoxy-N-(pyridine-4-carbonyl)anilino]urea
CID 174471239
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
N'-(6-bromo-2-pyridinyl)-2-hydroxy-2,2-bis(2-methoxyphenyl)acetohydrazide
CID 1107288
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 139719107
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437849

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide?
The IUPAC name of N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide (CID 1046257) is N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide.
What is the SMILES notation for N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide?
The canonical SMILES for N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide is COc1ccccc1N(NC(=O)C(O)(c1ccccc1OC)c1ccccc1OC)C(=O)c1ccccc1.
What is the InChIKey of N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide?
The InChIKey is FYWNIGZFSAGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-36-25-18-10-7-15-22(25)30(35,23-16-8-11-19-26(23)37-2)29(34)31-32(24-17-9-12-20-27(24)38-3)28(33)21-13-5-4-6-14-21/h4-20,35H,1-3H3,(H,31,34).
What are the key properties of N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide?
N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide has a molecular weight of 512.56 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2,2-bis(2-methoxyphenyl)acetyl]-N-(2-methoxyphenyl)benzohydrazide is sourced from PubChem (CID 1046257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).