N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide

C24H27N3O6 — CID 4234752

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)N(NC(=O)COc1ccc(OC)cc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H27N3O6/c1-4-16(2)23(30)27(25-21(28)15-33-19-12-10-18(32-3)11-13-19)20-14-22(29)26(24(20)31)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,28)
InChIKeyGSEFYLCROUJLOV-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.31
Rot. Bonds8

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide (PubChem CID 4234752) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
PubChem CID4234752
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
SMILESCCC(C)C(=O)N(NC(=O)COc1ccc(OC)cc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H27N3O6/c1-4-16(2)23(30)27(25-21(28)15-33-19-12-10-18(32-3)11-13-19)20-14-22(29)26(24(20)31)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,28)
InChIKeyGSEFYLCROUJLOV-UHFFFAOYSA-N
XLogP2.31
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-[2-(4-chlorophenoxy)acetyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbutanehydrazide
CID 3288072
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 3318387
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[(2R)-2-methylbutanoyl]benzohydrazide
CID 27892722
N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
CID 3830816
N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
CID 3584190
N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-methylbutanoyl)-2-nitrobenzohydrazide
CID 4528874
N'-acetyl-N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3472107
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxy-N-prop-2-enylacetamide
CID 23772955

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide (CID 4234752) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide is CCC(C)C(=O)N(NC(=O)COc1ccc(OC)cc1)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide?
The InChIKey is GSEFYLCROUJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-4-16(2)23(30)27(25-21(28)15-33-19-12-10-18(32-3)11-13-19)20-14-22(29)26(24(20)31)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide has a molecular weight of 453.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide is sourced from PubChem (CID 4234752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).