N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

C23H26F2N2O4 — CID 110167128

IUPACN-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESO=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H26F2N2O4/c24-22(25)31-19-9-7-18(8-10-19)26-21(28)14-27-13-20(23(16-27)11-4-12-30-23)29-15-17-5-2-1-3-6-17/h1-3,5-10,20,22H,4,11-16H2,(H,26,28)/t20-,23-/m0/s1
InChIKeyPGELNHZBOXCGOC-REWPJTCUSA-N
MW432.47 g/mol
LogP3.68
Rot. Bonds8

About N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 110167128) has the molecular formula C23H26F2N2O4 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
PubChem CID110167128
Molecular FormulaC23H26F2N2O4
Molecular Weight432.47 g/mol
Exact Mass432.19
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESO=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H26F2N2O4/c24-22(25)31-19-9-7-18(8-10-19)26-21(28)14-27-13-20(23(16-27)11-4-12-30-23)29-15-17-5-2-1-3-6-17/h1-3,5-10,20,22H,4,11-16H2,(H,26,28)/t20-,23-/m0/s1
InChIKeyPGELNHZBOXCGOC-REWPJTCUSA-N
XLogP3.68
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.68
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
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
N-[2-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456942
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 110167176
N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 129453967
2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 129456681
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 175655212
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (CID 110167128) is N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is O=C(CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is PGELNHZBOXCGOC-REWPJTCUSA-N. The full InChI is InChI=1S/C23H26F2N2O4/c24-22(25)31-19-9-7-18(8-10-19)26-21(28)14-27-13-20(23(16-27)11-4-12-30-23)29-15-17-5-2-1-3-6-17/h1-3,5-10,20,22H,4,11-16H2,(H,26,28)/t20-,23-/m0/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 432.47 g/mol, XLogP of 3.68, 8 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-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 110167128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).