2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide

C16H30N2O6 — CID 118404354

IUPAC2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide
SMILESCCC(C)C(=O)NCC1OC(O)C(NC(=O)C(C)CC)C(O)C1O
InChIInChI=1S/C16H30N2O6/c1-5-8(3)14(21)17-7-10-12(19)13(20)11(16(23)24-10)18-15(22)9(4)6-2/h8-13,16,19-20,23H,5-7H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyCFGORIATDCRGBL-UHFFFAOYSA-N
MW346.42 g/mol
LogP-0.88
Rot. Bonds7

About 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide

2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide (PubChem CID 118404354) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide
PubChem CID118404354
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide
SMILESCCC(C)C(=O)NCC1OC(O)C(NC(=O)C(C)CC)C(O)C1O
InChIInChI=1S/C16H30N2O6/c1-5-8(3)14(21)17-7-10-12(19)13(20)11(16(23)24-10)18-15(22)9(4)6-2/h8-13,16,19-20,23H,5-7H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyCFGORIATDCRGBL-UHFFFAOYSA-N
XLogP-0.88
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide (CID 118404354) is 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide is CCC(C)C(=O)NCC1OC(O)C(NC(=O)C(C)CC)C(O)C1O.
What is the InChIKey of 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide?
The InChIKey is CFGORIATDCRGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-5-8(3)14(21)17-7-10-12(19)13(20)11(16(23)24-10)18-15(22)9(4)6-2/h8-13,16,19-20,23H,5-7H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide?
2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide has a molecular weight of 346.42 g/mol, XLogP of -0.88, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3,4,6-trihydroxy-5-(2-methylbutanoylamino)oxan-2-yl]methyl]butanamide is sourced from PubChem (CID 118404354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).