N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

C27H30N2O3 — CID 129455060

IUPACN-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C27H30N2O3/c30-26(28-24-13-6-11-22-10-4-5-12-23(22)24)19-29-16-15-27(14-7-17-32-27)25(18-29)31-20-21-8-2-1-3-9-21/h1-6,8-13,25H,7,14-20H2,(H,28,30)/t25-,27-/m0/s1
InChIKeyHACKTNOVTDPUSH-BDYUSTAISA-N
MW430.55 g/mol
LogP4.62
Rot. Bonds6

About N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 129455060) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
PubChem CID129455060
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc12
InChIInChI=1S/C27H30N2O3/c30-26(28-24-13-6-11-22-10-4-5-12-23(22)24)19-29-16-15-27(14-7-17-32-27)25(18-29)31-20-21-8-2-1-3-9-21/h1-6,8-13,25H,7,14-20H2,(H,28,30)/t25-,27-/m0/s1
InChIKeyHACKTNOVTDPUSH-BDYUSTAISA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456942
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 129456681
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
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
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-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125020638
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456781
N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167123
N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125006324
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167128

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 129455060) is N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is O=C(CN1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is HACKTNOVTDPUSH-BDYUSTAISA-N. The full InChI is InChI=1S/C27H30N2O3/c30-26(28-24-13-6-11-22-10-4-5-12-23(22)24)19-29-16-15-27(14-7-17-32-27)25(18-29)31-20-21-8-2-1-3-9-21/h1-6,8-13,25H,7,14-20H2,(H,28,30)/t25-,27-/m0/s1.
What are the key properties of N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 129455060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).