N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide

C13H25NO4 — CID 114094513

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(OC)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H25NO4/c1-5-12(2,17-4)11(15)14(3)10-13(16)6-8-18-9-7-13/h16H,5-10H2,1-4H3
InChIKeyWDODBFRJKAGKEC-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.80
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide (PubChem CID 114094513) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide
PubChem CID114094513
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(OC)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C13H25NO4/c1-5-12(2,17-4)11(15)14(3)10-13(16)6-8-18-9-7-13/h16H,5-10H2,1-4H3
InChIKeyWDODBFRJKAGKEC-UHFFFAOYSA-N
XLogP0.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide (CID 114094513) is N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide is CCC(C)(OC)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide?
The InChIKey is WDODBFRJKAGKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-12(2,17-4)11(15)14(3)10-13(16)6-8-18-9-7-13/h16H,5-10H2,1-4H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide has a molecular weight of 259.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 114094513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).