[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone

C23H33FN2O4 — CID 144996180

IUPAC[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone
SMILESCCC1CCC(COc2cc(F)c(C(=O)N3C(C)CCC3ONO)cc2C2CC2)C1
InChIInChI=1S/C23H33FN2O4/c1-3-15-5-6-16(10-15)13-29-21-12-20(24)19(11-18(21)17-7-8-17)23(27)26-14(2)4-9-22(26)30-25-28/h11-12,14-17,22,25,28H,3-10,13H2,1-2H3
InChIKeyCEOXLWUZBVAVOR-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.77
Rot. Bonds8

About [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone

[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone (PubChem CID 144996180) has the molecular formula C23H33FN2O4 and a molecular weight of 420.53 g/mol. Its IUPAC name is [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone
PubChem CID144996180
Molecular FormulaC23H33FN2O4
Molecular Weight420.53 g/mol
Exact Mass420.24
IUPAC Name[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone
SMILESCCC1CCC(COc2cc(F)c(C(=O)N3C(C)CCC3ONO)cc2C2CC2)C1
InChIInChI=1S/C23H33FN2O4/c1-3-15-5-6-16(10-15)13-29-21-12-20(24)19(11-18(21)17-7-8-17)23(27)26-14(2)4-9-22(26)30-25-28/h11-12,14-17,22,25,28H,3-10,13H2,1-2H3
InChIKeyCEOXLWUZBVAVOR-UHFFFAOYSA-N
XLogP4.77
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone (CID 144996180) is [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone is CCC1CCC(COc2cc(F)c(C(=O)N3C(C)CCC3ONO)cc2C2CC2)C1.
What is the InChIKey of [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone?
The InChIKey is CEOXLWUZBVAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O4/c1-3-15-5-6-16(10-15)13-29-21-12-20(24)19(11-18(21)17-7-8-17)23(27)26-14(2)4-9-22(26)30-25-28/h11-12,14-17,22,25,28H,3-10,13H2,1-2H3.
What are the key properties of [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone?
[5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone has a molecular weight of 420.53 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-4-[(3-ethylcyclopentyl)methoxy]-2-fluorophenyl]-[2-(hydroxyamino)oxy-5-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 144996180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).