(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

C23H34N2O3 — CID 42372453

IUPAC(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1ccc(C)c(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1
InChIInChI=1S/C23H34N2O3/c1-17-5-6-18(2)19(14-17)16-25-11-9-23(10-12-25)8-7-20(28-23)15-24-22(26)21-4-3-13-27-21/h5-6,14,20-21H,3-4,7-13,15-16H2,1-2H3,(H,24,26)/t20-,21+/m1/s1
InChIKeyQNFBTYFSNKNEID-RTWAWAEBSA-N
MW386.54 g/mol
LogP3.11
Rot. Bonds5

About (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide

(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 42372453) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
PubChem CID42372453
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1ccc(C)c(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1
InChIInChI=1S/C23H34N2O3/c1-17-5-6-18(2)19(14-17)16-25-11-9-23(10-12-25)8-7-20(28-23)15-24-22(26)21-4-3-13-27-21/h5-6,14,20-21H,3-4,7-13,15-16H2,1-2H3,(H,24,26)/t20-,21+/m1/s1
InChIKeyQNFBTYFSNKNEID-RTWAWAEBSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[(2S)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 42369914
N-[[8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 45166387
N-[[8-(quinolin-6-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 45165627
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
N-[(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 45172256
N-[[(2R)-8-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxyacetamide
CID 42248554
5-[1-[(2,4-dimethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42349458
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
(E)-3-(3,4-difluorophenyl)-N-[[(2R)-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 42246274
3-(2,6-difluorophenyl)-N-[[8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]prop-2-enamide
CID 74793489
N-[[8-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxane-4-carboxamide
CID 45168325
2-methyl-N-[[(2R)-8-(naphthalen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 42370794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide (CID 42372453) is (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is Cc1ccc(C)c(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1.
What is the InChIKey of (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is QNFBTYFSNKNEID-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-17-5-6-18(2)19(14-17)16-25-11-9-23(10-12-25)8-7-20(28-23)15-24-22(26)21-4-3-13-27-21/h5-6,14,20-21H,3-4,7-13,15-16H2,1-2H3,(H,24,26)/t20-,21+/m1/s1.
What are the key properties of (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide?
(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42372453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).