3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide

C13H23NO2 — CID 164634508

IUPAC3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCC12CCOCC2
InChIInChI=1S/C13H23NO2/c1-10(2)9-12(15)14-11-3-4-13(11)5-7-16-8-6-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyRYEGVGDSFXKDRI-NSHDSACASA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide

3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide (PubChem CID 164634508) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
PubChem CID164634508
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide
SMILESCC(C)CC(=O)N[C@H]1CCC12CCOCC2
InChIInChI=1S/C13H23NO2/c1-10(2)9-12(15)14-11-3-4-13(11)5-7-16-8-6-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyRYEGVGDSFXKDRI-NSHDSACASA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(fluoromethyl)-N-(2-methyloxan-4-yl)cyclobutane-1-carboxamide
CID 126795366
N-(dicyclopropylmethyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
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N-(3-ethoxy-2,2-diethylcyclobutyl)oxolane-3-carboxamide
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N-[(4-methyloxan-4-yl)methyl]cyclobutanecarboxamide
CID 91914815
N-(4-methylcyclohexyl)oxane-4-carboxamide
CID 39958727
CID 57880741
CID 57880741
N-isopropyltetrahydro-2H-pyran-4-carboxamide
CID 58140151
N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide
CID 58331684
N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide
CID 58938815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide (CID 164634508) is 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide is CC(C)CC(=O)N[C@H]1CCC12CCOCC2.
What is the InChIKey of 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide?
The InChIKey is RYEGVGDSFXKDRI-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)9-12(15)14-11-3-4-13(11)5-7-16-8-6-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide?
3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-7-oxaspiro[3.5]nonan-3-yl]butanamide is sourced from PubChem (CID 164634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).