(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide

C13H26N2O2 — CID 83033449

IUPAC(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
SMILESCC1(C)CC(NC(=O)[C@@H](N)C(C)(C)C)CCO1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(14)11(16)15-9-6-7-17-13(4,5)8-9/h9-10H,6-8,14H2,1-5H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyCNAOSOKXEGHIOH-QVDQXJPCSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds2

About (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide (PubChem CID 83033449) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
PubChem CID83033449
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide
SMILESCC1(C)CC(NC(=O)[C@@H](N)C(C)(C)C)CCO1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(14)11(16)15-9-6-7-17-13(4,5)8-9/h9-10H,6-8,14H2,1-5H3,(H,15,16)/t9?,10-/m1/s1
InChIKeyCNAOSOKXEGHIOH-QVDQXJPCSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide (CID 83033449) is (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide is CC1(C)CC(NC(=O)[C@@H](N)C(C)(C)C)CCO1.
What is the InChIKey of (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide?
The InChIKey is CNAOSOKXEGHIOH-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)10(14)11(16)15-9-6-7-17-13(4,5)8-9/h9-10H,6-8,14H2,1-5H3,(H,15,16)/t9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-dimethyloxan-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 83033449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).