N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C21H29FN2O2 — CID 91919393

IUPACN-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESO=C(CC1CCOC2(CCN(Cc3cccc(F)c3)CC2)C1)NC1CC1
InChIInChI=1S/C21H29FN2O2/c22-18-3-1-2-17(12-18)15-24-9-7-21(8-10-24)14-16(6-11-26-21)13-20(25)23-19-4-5-19/h1-3,12,16,19H,4-11,13-15H2,(H,23,25)
InChIKeyOLUXIPSEHGSHCC-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.26
Rot. Bonds5

About N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91919393) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91919393
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESO=C(CC1CCOC2(CCN(Cc3cccc(F)c3)CC2)C1)NC1CC1
InChIInChI=1S/C21H29FN2O2/c22-18-3-1-2-17(12-18)15-24-9-7-21(8-10-24)14-16(6-11-26-21)13-20(25)23-19-4-5-19/h1-3,12,16,19H,4-11,13-15H2,(H,23,25)
InChIKeyOLUXIPSEHGSHCC-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91919393) is N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is O=C(CC1CCOC2(CCN(Cc3cccc(F)c3)CC2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is OLUXIPSEHGSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-18-3-1-2-17(12-18)15-24-9-7-21(8-10-24)14-16(6-11-26-21)13-20(25)23-19-4-5-19/h1-3,12,16,19H,4-11,13-15H2,(H,23,25).
What are the key properties of N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 360.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[9-[(3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91919393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).