N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

C26H34N2O3 — CID 125006324

IUPACN-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESCCN(C(=O)CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1
InChIInChI=1S/C26H34N2O3/c1-3-28(23-12-7-9-21(2)17-23)25(29)19-27-15-14-26(13-8-16-31-26)24(18-27)30-20-22-10-5-4-6-11-22/h4-7,9-12,17,24H,3,8,13-16,18-20H2,1-2H3/t24-,26+/m1/s1
InChIKeyUFHBRAKZQQVDHR-RSXGOPAZSA-N
MW422.57 g/mol
LogP4.19
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide

N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (PubChem CID 125006324) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
PubChem CID125006324
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
SMILESCCN(C(=O)CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1
InChIInChI=1S/C26H34N2O3/c1-3-28(23-12-7-9-21(2)17-23)25(29)19-27-15-14-26(13-8-16-31-26)24(18-27)30-20-22-10-5-4-6-11-22/h4-7,9-12,17,24H,3,8,13-16,18-20H2,1-2H3/t24-,26+/m1/s1
InChIKeyUFHBRAKZQQVDHR-RSXGOPAZSA-N
XLogP4.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
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,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 129457422
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
N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167123
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
2-[(3R)-3-benzyl-4-(4-methylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 110162348
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide (CID 125006324) is N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is CCN(C(=O)CN1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is UFHBRAKZQQVDHR-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-3-28(23-12-7-9-21(2)17-23)25(29)19-27-15-14-26(13-8-16-31-26)24(18-27)30-20-22-10-5-4-6-11-22/h4-7,9-12,17,24H,3,8,13-16,18-20H2,1-2H3/t24-,26+/m1/s1.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide?
N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 125006324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).