N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

C17H23FN2O2 — CID 91841494

IUPACN-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESO=C(CCN1CCC2(CCO2)CC1)NCc1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-15-4-2-1-3-14(15)13-19-16(21)5-9-20-10-6-17(7-11-20)8-12-22-17/h1-4H,5-13H2,(H,19,21)
InChIKeyZBDIBJPFTXGWHI-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.09
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide

N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (PubChem CID 91841494) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
PubChem CID91841494
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
SMILESO=C(CCN1CCC2(CCO2)CC1)NCc1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-15-4-2-1-3-14(15)13-19-16(21)5-9-20-10-6-17(7-11-20)8-12-22-17/h1-4H,5-13H2,(H,19,21)
InChIKeyZBDIBJPFTXGWHI-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide (CID 91841494) is N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is O=C(CCN1CCC2(CCO2)CC1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
The InChIKey is ZBDIBJPFTXGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-4-2-1-3-14(15)13-19-16(21)5-9-20-10-6-17(7-11-20)8-12-22-17/h1-4H,5-13H2,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide has a molecular weight of 306.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide is sourced from PubChem (CID 91841494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).