N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide

C25H23N3O6 — CID 3830816

IUPACN'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
SMILESCOc1cccc(N2C(=O)CC(N(NC(=O)COc3ccc4ccccc4c3)C(C)=O)C2=O)c1
InChIInChI=1S/C25H23N3O6/c1-16(29)28(22-14-24(31)27(25(22)32)19-8-5-9-20(13-19)33-2)26-23(30)15-34-21-11-10-17-6-3-4-7-18(17)12-21/h3-13,22H,14-15H2,1-2H3,(H,26,30)
InChIKeyOHWDTUDKWMLVLN-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.44
Rot. Bonds6

About N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide

N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide (PubChem CID 3830816) has the molecular formula C25H23N3O6 and a molecular weight of 461.47 g/mol. Its IUPAC name is N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
PubChem CID3830816
Molecular FormulaC25H23N3O6
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC NameN'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
SMILESCOc1cccc(N2C(=O)CC(N(NC(=O)COc3ccc4ccccc4c3)C(C)=O)C2=O)c1
InChIInChI=1S/C25H23N3O6/c1-16(29)28(22-14-24(31)27(25(22)32)19-8-5-9-20(13-19)33-2)26-23(30)15-34-21-11-10-17-6-3-4-7-18(17)12-21/h3-13,22H,14-15H2,1-2H3,(H,26,30)
InChIKeyOHWDTUDKWMLVLN-UHFFFAOYSA-N
XLogP2.44
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.44
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-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
CID 4234752
N'-acetyl-N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3472107
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 3318387
N'-acetyl-N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3645428
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
CID 3584190
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
ethyl N-[benzoyl-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 4590585
N'-[2-(4-chlorophenoxy)acetyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbutanehydrazide
CID 3288072
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide?
The IUPAC name of N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide (CID 3830816) is N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide.
What is the SMILES notation for N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide?
The canonical SMILES for N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide is COc1cccc(N2C(=O)CC(N(NC(=O)COc3ccc4ccccc4c3)C(C)=O)C2=O)c1.
What is the InChIKey of N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide?
The InChIKey is OHWDTUDKWMLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6/c1-16(29)28(22-14-24(31)27(25(22)32)19-8-5-9-20(13-19)33-2)26-23(30)15-34-21-11-10-17-6-3-4-7-18(17)12-21/h3-13,22H,14-15H2,1-2H3,(H,26,30).
What are the key properties of N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide?
N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide has a molecular weight of 461.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide is sourced from PubChem (CID 3830816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).