[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium

C18H25N2O3+ — CID 7471061

IUPAC[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-12-5-3-4-6-15(12)19-16-11-17(21)20(18(16)22)13-7-9-14(23-2)10-8-13/h7-10,12,15-16,19H,3-6,11H2,1-2H3/p+1/t12-,15+,16-/m1/s1
InChIKeyARLKMDVDFKBXPW-UHOFOFEASA-O
MW317.41 g/mol
LogP1.47
Rot. Bonds4

About [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium

[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium (PubChem CID 7471061) has the molecular formula C18H25N2O3+ and a molecular weight of 317.41 g/mol. Its IUPAC name is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium.

Molecular Properties

Compound Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
PubChem CID7471061
Molecular FormulaC18H25N2O3+
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-12-5-3-4-6-15(12)19-16-11-17(21)20(18(16)22)13-7-9-14(23-2)10-8-13/h7-10,12,15-16,19H,3-6,11H2,1-2H3/p+1/t12-,15+,16-/m1/s1
InChIKeyARLKMDVDFKBXPW-UHOFOFEASA-O
XLogP1.47
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4744551
[(3R)-1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-[(1R,2R,3S)-2,3-dimethylcyclohexyl]azanium
CID 11906208
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6923610
(3R)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 11902520
[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7353317
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(3-methylthiophen-2-yl)ethyl]azanium
CID 7057832
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(3R)-2-oxoazepan-3-yl]azanium
CID 6923624
(3R)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 6920576

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium?
The IUPAC name of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium (CID 7471061) is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium.
What is the SMILES notation for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium?
The canonical SMILES for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium is COc1ccc(N2C(=O)C[C@@H]([NH2+][C@H]3CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium?
The InChIKey is ARLKMDVDFKBXPW-UHOFOFEASA-O. The full InChI is InChI=1S/C18H24N2O3/c1-12-5-3-4-6-15(12)19-16-11-17(21)20(18(16)22)13-7-9-14(23-2)10-8-13/h7-10,12,15-16,19H,3-6,11H2,1-2H3/p+1/t12-,15+,16-/m1/s1.
What are the key properties of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium?
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium has a molecular weight of 317.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium is sourced from PubChem (CID 7471061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).