N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide

C13H25NO3 — CID 95906083

IUPACN-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide
SMILESCO[C@@H](CNC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)11(16-4)9-14-12(15)10-5-7-17-8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYKCJDNCRYQUXDM-NSHDSACASA-N
MW243.35 g/mol
LogP1.59
Rot. Bonds4

About N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide

N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide (PubChem CID 95906083) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide
PubChem CID95906083
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide
SMILESCO[C@@H](CNC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-13(2,3)11(16-4)9-14-12(15)10-5-7-17-8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYKCJDNCRYQUXDM-NSHDSACASA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide?
The IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide (CID 95906083) is N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide is CO[C@@H](CNC(=O)C1CCOCC1)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide?
The InChIKey is YKCJDNCRYQUXDM-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)11(16-4)9-14-12(15)10-5-7-17-8-6-10/h10-11H,5-9H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide?
N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-3,3-dimethylbutyl]oxane-4-carboxamide is sourced from PubChem (CID 95906083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).