N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide

C25H23N3O5 — CID 5135838

IUPACN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccc2ccccc12)C1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H23N3O5/c1-3-22(29)28(26-24(31)20-10-6-8-16-7-4-5-9-19(16)20)21-15-23(30)27(25(21)32)17-11-13-18(33-2)14-12-17/h4-14,21H,3,15H2,1-2H3,(H,26,31)
InChIKeyKTPBGSISGXNXPI-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.06
Rot. Bonds5

About N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide (PubChem CID 5135838) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
PubChem CID5135838
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
SMILESCCC(=O)N(NC(=O)c1cccc2ccccc12)C1CC(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C25H23N3O5/c1-3-22(29)28(26-24(31)20-10-6-8-16-7-4-5-9-19(16)20)21-15-23(30)27(25(21)32)17-11-13-18(33-2)14-12-17/h4-14,21H,3,15H2,1-2H3,(H,26,31)
InChIKeyKTPBGSISGXNXPI-UHFFFAOYSA-N
XLogP3.06
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.06
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'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2002874
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N'-propanoylbenzohydrazide
CID 3969845
N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 1109187
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N'-acetyl-N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3472107
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658
N'-(4-chlorobenzoyl)-N-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 3406675
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-[(2R)-2-methylbutanoyl]benzohydrazide
CID 27892722
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
CID 4234752
2-fluoro-N'-(4-methoxybenzoyl)-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3975852
N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
CID 3584190

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide?
The IUPAC name of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide (CID 5135838) is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide is CCC(=O)N(NC(=O)c1cccc2ccccc12)C1CC(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide?
The InChIKey is KTPBGSISGXNXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-3-22(29)28(26-24(31)20-10-6-8-16-7-4-5-9-19(16)20)21-15-23(30)27(25(21)32)17-11-13-18(33-2)14-12-17/h4-14,21H,3,15H2,1-2H3,(H,26,31).
What are the key properties of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide?
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide has a molecular weight of 445.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide is sourced from PubChem (CID 5135838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).