N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

C18H24F2N2O4 — CID 125025484

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2
InChIInChI=1S/C18H24F2N2O4/c1-24-15-7-9-22(12-18(15)8-2-10-25-18)11-16(23)21-13-3-5-14(6-4-13)26-17(19)20/h3-6,15,17H,2,7-12H2,1H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyZMUDNGSEWYTHHJ-CRAIPNDOSA-N
MW370.40 g/mol
LogP2.50
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (PubChem CID 125025484) has the molecular formula C18H24F2N2O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
PubChem CID125025484
Molecular FormulaC18H24F2N2O4
Molecular Weight370.40 g/mol
Exact Mass370.17
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
SMILESCO[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2
InChIInChI=1S/C18H24F2N2O4/c1-24-15-7-9-22(12-18(15)8-2-10-25-18)11-16(23)21-13-3-5-14(6-4-13)26-17(19)20/h3-6,15,17H,2,7-12H2,1H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyZMUDNGSEWYTHHJ-CRAIPNDOSA-N
XLogP2.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167128
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 124977738
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)acetamide
CID 110167208
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125009204
2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 124939739

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (CID 125025484) is N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is CO[C@@H]1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@]12CCCO2.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The InChIKey is ZMUDNGSEWYTHHJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H24F2N2O4/c1-24-15-7-9-22(12-18(15)8-2-10-25-18)11-16(23)21-13-3-5-14(6-4-13)26-17(19)20/h3-6,15,17H,2,7-12H2,1H3,(H,21,23)/t15-,18-/m1/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 370.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 125025484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).