[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate

C25H22N2O5 — CID 166212951

IUPAC[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CC2CC(=O)NC2=O)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H22N2O5/c1-15(23(29)26-21-11-10-17-4-2-3-5-19(17)13-21)32-25(31)18-8-6-16(7-9-18)12-20-14-22(28)27-24(20)30/h2-11,13,15,20H,12,14H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyLJZGJWOIQXVIOG-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.23
Rot. Bonds6

About [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate (PubChem CID 166212951) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate.

Molecular Properties

Compound Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
PubChem CID166212951
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
SMILESCC(OC(=O)c1ccc(CC2CC(=O)NC2=O)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H22N2O5/c1-15(23(29)26-21-11-10-17-4-2-3-5-19(17)13-21)32-25(31)18-8-6-16(7-9-18)12-20-14-22(28)27-24(20)30/h2-11,13,15,20H,12,14H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyLJZGJWOIQXVIOG-UHFFFAOYSA-N
XLogP3.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753088
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507813
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966531
(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
CID 98182993
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 25377845
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698066
N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
CID 98182970
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-chloroquinoline-6-carboxylate
CID 55730251
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017680
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate?
The IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate (CID 166212951) is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate.
What is the SMILES notation for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate?
The canonical SMILES for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate is CC(OC(=O)c1ccc(CC2CC(=O)NC2=O)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate?
The InChIKey is LJZGJWOIQXVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-15(23(29)26-21-11-10-17-4-2-3-5-19(17)13-21)32-25(31)18-8-6-16(7-9-18)12-20-14-22(28)27-24(20)30/h2-11,13,15,20H,12,14H2,1H3,(H,26,29)(H,27,28,30).
What are the key properties of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate?
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate has a molecular weight of 430.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate is sourced from PubChem (CID 166212951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).