N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide

C37H34N2O4 — CID 5131377

IUPACN-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(N(NC(=O)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C37H34N2O4/c1-26-10-14-29(15-11-26)37(30-16-12-27(2)13-17-30,31-18-22-33(42-3)23-19-31)36(41)38-39(32-20-24-34(43-4)25-21-32)35(40)28-8-6-5-7-9-28/h5-25H,1-4H3,(H,38,41)
InChIKeyOGRZDHKVXCVKSZ-UHFFFAOYSA-N
MW570.69 g/mol
LogP7.03
Rot. Bonds8

About N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide

N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide (PubChem CID 5131377) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide
PubChem CID5131377
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC NameN-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(N(NC(=O)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C37H34N2O4/c1-26-10-14-29(15-11-26)37(30-16-12-27(2)13-17-30,31-18-22-33(42-3)23-19-31)36(41)38-39(32-20-24-34(43-4)25-21-32)35(40)28-8-6-5-7-9-28/h5-25H,1-4H3,(H,38,41)
InChIKeyOGRZDHKVXCVKSZ-UHFFFAOYSA-N
XLogP7.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide
CID 2857834
2,2,2-tris(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 44563474
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
2-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1,2-diphenylethanone
CID 102309823
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
2-chloro-2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoic acid
CID 175409188

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide (CID 5131377) is N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide is COc1ccc(N(NC(=O)C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide?
The InChIKey is OGRZDHKVXCVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O4/c1-26-10-14-29(15-11-26)37(30-16-12-27(2)13-17-30,31-18-22-33(42-3)23-19-31)36(41)38-39(32-20-24-34(43-4)25-21-32)35(40)28-8-6-5-7-9-28/h5-25H,1-4H3,(H,38,41).
What are the key properties of N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide?
N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide has a molecular weight of 570.69 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 5131377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).