N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C17H30N2O3 — CID 97231492

IUPACN-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-14(6-7-15-5-4-11-21-15)18-16(20)19-10-12-22-17(13-19)8-2-3-9-17/h14-15H,2-13H2,1H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyGHRBLEKLAZIABB-GJZGRUSLSA-N
MW310.44 g/mol
LogP2.69
Rot. Bonds4

About N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97231492) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97231492
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-14(6-7-15-5-4-11-21-15)18-16(20)19-10-12-22-17(13-19)8-2-3-9-17/h14-15H,2-13H2,1H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyGHRBLEKLAZIABB-GJZGRUSLSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75495442
2,2-dimethyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]thiomorpholine-4-carboxamide
CID 96968948
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124777715
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 75383166
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
N-(1-cyclobutylethyl)-9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 146114368
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
3-[(dimethylamino)methyl]-N-[1-(oxolan-2-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 86816948
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97231492) is N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@@H](CC[C@@H]1CCCO1)NC(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is GHRBLEKLAZIABB-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-14(6-7-15-5-4-11-21-15)18-16(20)19-10-12-22-17(13-19)8-2-3-9-17/h14-15H,2-13H2,1H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97231492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).