N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide

C28H27N3O5 — CID 3749099

IUPACN'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C)cc1N1C(=O)CC(N(NC(=O)C(c2ccccc2)c2ccccc2)C(C)=O)C1=O
InChIInChI=1S/C28H27N3O5/c1-18-14-15-24(36-3)22(16-18)30-25(33)17-23(28(30)35)31(19(2)32)29-27(34)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,23,26H,17H2,1-3H3,(H,29,34)
InChIKeySQXBBYWZMIOYOI-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.35
Rot. Bonds6

About N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide

N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide (PubChem CID 3749099) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
PubChem CID3749099
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
SMILESCOc1ccc(C)cc1N1C(=O)CC(N(NC(=O)C(c2ccccc2)c2ccccc2)C(C)=O)C1=O
InChIInChI=1S/C28H27N3O5/c1-18-14-15-24(36-3)22(16-18)30-25(33)17-23(28(30)35)31(19(2)32)29-27(34)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,23,26H,17H2,1-3H3,(H,29,34)
InChIKeySQXBBYWZMIOYOI-UHFFFAOYSA-N
XLogP3.35
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-[1-(2,5-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzohydrazide
CID 5019234
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)but-2-enehydrazide
CID 3587139
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3350387
N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitro-N'-propanoylbenzohydrazide
CID 3322181
N'-(4-chlorobenzoyl)-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 3983480
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide
CID 4040999
N'-benzoyl-2-chloro-N-[1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3896161
3,4-dimethoxy-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylpropanoyl)benzohydrazide
CID 3425766
N-(2-amino-2-phenylethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119528407
N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
CID 3584190
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
CID 3658217

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide (CID 3749099) is N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide is COc1ccc(C)cc1N1C(=O)CC(N(NC(=O)C(c2ccccc2)c2ccccc2)C(C)=O)C1=O.
What is the InChIKey of N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
The InChIKey is SQXBBYWZMIOYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-18-14-15-24(36-3)22(16-18)30-25(33)17-23(28(30)35)31(19(2)32)29-27(34)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,23,26H,17H2,1-3H3,(H,29,34).
What are the key properties of N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide?
N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide has a molecular weight of 485.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 3749099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).