N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide

C15H27NO3 — CID 7423471

IUPACN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-13(17)16-10-12-11-18-15(19-12)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyZKLPZLHXCOQYHY-LBPRGKRZSA-N
MW269.38 g/mol
LogP2.61
Rot. Bonds3

About N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide

N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 7423471) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide
PubChem CID7423471
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C15H27NO3/c1-14(2,3)9-13(17)16-10-12-11-18-15(19-12)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyZKLPZLHXCOQYHY-LBPRGKRZSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide (CID 7423471) is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is ZKLPZLHXCOQYHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,3)9-13(17)16-10-12-11-18-15(19-12)7-5-4-6-8-15/h12H,4-11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide?
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 269.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 7423471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).