N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide

C13H23NO3 — CID 165457001

IUPACN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C13H23NO3/c1-9(2)7-12(16)14-10-8-11(15)13(10)3-5-17-6-4-13/h9-11,15H,3-8H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyWMELAPSBJNFQBR-GHMZBOCLSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds3

About N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide

N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide (PubChem CID 165457001) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide
PubChem CID165457001
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2
InChIInChI=1S/C13H23NO3/c1-9(2)7-12(16)14-10-8-11(15)13(10)3-5-17-6-4-13/h9-11,15H,3-8H2,1-2H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyWMELAPSBJNFQBR-GHMZBOCLSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
CID 178190778
2-cyclopropyl-N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]acetamide
CID 178190775
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
N-[(1S,3S)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]cyclobutanecarboxamide
CID 178190774
N-cyclopentyl-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
CID 136585794
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 154767484
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(bromomethyl)oxan-4-yl]-3-methylbutanamide
CID 106300984
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
N-(2-ethylphenyl)-2-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]acetamide
CID 136585800
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-1-(1-methoxycyclopentyl)methanesulfonamide
CID 154789497
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide?
The IUPAC name of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide (CID 165457001) is N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide?
The canonical SMILES for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H]1C[C@@H](O)C12CCOCC2.
What is the InChIKey of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide?
The InChIKey is WMELAPSBJNFQBR-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)7-12(16)14-10-8-11(15)13(10)3-5-17-6-4-13/h9-11,15H,3-8H2,1-2H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide?
N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]-3-methylbutanamide is sourced from PubChem (CID 165457001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).