4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide

C12H23NO5 — CID 167018978

IUPAC4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide
SMILESCOC1OC(C(=O)NCCC(C)C)CC(O)C1O
InChIInChI=1S/C12H23NO5/c1-7(2)4-5-13-11(16)9-6-8(14)10(15)12(17-3)18-9/h7-10,12,14-15H,4-6H2,1-3H3,(H,13,16)
InChIKeyQDXAZZMAEOOEIY-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.37
Rot. Bonds5

About 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide

4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide (PubChem CID 167018978) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide
PubChem CID167018978
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide
SMILESCOC1OC(C(=O)NCCC(C)C)CC(O)C1O
InChIInChI=1S/C12H23NO5/c1-7(2)4-5-13-11(16)9-6-8(14)10(15)12(17-3)18-9/h7-10,12,14-15H,4-6H2,1-3H3,(H,13,16)
InChIKeyQDXAZZMAEOOEIY-UHFFFAOYSA-N
XLogP-0.37
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide?
The IUPAC name of 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide (CID 167018978) is 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide.
What is the SMILES notation for 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide?
The canonical SMILES for 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide is COC1OC(C(=O)NCCC(C)C)CC(O)C1O.
What is the InChIKey of 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide?
The InChIKey is QDXAZZMAEOOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-7(2)4-5-13-11(16)9-6-8(14)10(15)12(17-3)18-9/h7-10,12,14-15H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide?
4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide is sourced from PubChem (CID 167018978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).