N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide

C22H34N2O5 — CID 42248554

IUPACN-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OC)c(C)c3OC)CC2)O1
InChIInChI=1S/C22H34N2O5/c1-16-19(27-3)6-5-17(21(16)28-4)14-24-11-9-22(10-12-24)8-7-18(29-22)13-23-20(25)15-26-2/h5-6,18H,7-15H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyJICRJDMHGXLGHC-GOSISDBHSA-N
MW406.52 g/mol
LogP2.29
Rot. Bonds8

About N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 42248554) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
PubChem CID42248554
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC NameN-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OC)c(C)c3OC)CC2)O1
InChIInChI=1S/C22H34N2O5/c1-16-19(27-3)6-5-17(21(16)28-4)14-24-11-9-22(10-12-24)8-7-18(29-22)13-23-20(25)15-26-2/h5-6,18H,7-15H2,1-4H3,(H,23,25)/t18-/m1/s1
InChIKeyJICRJDMHGXLGHC-GOSISDBHSA-N
XLogP2.29
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]but-3-enamide
CID 45209586
N-[[8-(9H-fluoren-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 45173060
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 45166399
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366
N-[[8-[(4-methoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45205082
N-[[(2S)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 26361313
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 45197563
(2S)-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382339
N-[[(2S)-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 42501115
(2S)-2-(3-chlorophenoxy)-N-[[(2R)-8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 26349362
N-[[8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45207665

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide (CID 42248554) is N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OC)c(C)c3OC)CC2)O1.
What is the InChIKey of N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is JICRJDMHGXLGHC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-16-19(27-3)6-5-17(21(16)28-4)14-24-11-9-22(10-12-24)8-7-18(29-22)13-23-20(25)15-26-2/h5-6,18H,7-15H2,1-4H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 406.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 42248554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).