4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

C15H29NO6 — CID 20683790

IUPAC4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CC(O)C(C)C(C(O)C(O)CO)O1
InChIInChI=1S/C15H29NO6/c1-8(2)6-16-14(21)15(4)5-10(18)9(3)13(22-15)12(20)11(19)7-17/h8-13,17-20H,5-7H2,1-4H3,(H,16,21)
InChIKeyHOZDWXJOOJXFEI-UHFFFAOYSA-N
MW319.40 g/mol
LogP-0.98
Rot. Bonds6

About 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (PubChem CID 20683790) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
PubChem CID20683790
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Name4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CC(O)C(C)C(C(O)C(O)CO)O1
InChIInChI=1S/C15H29NO6/c1-8(2)6-16-14(21)15(4)5-10(18)9(3)13(22-15)12(20)11(19)7-17/h8-13,17-20H,5-7H2,1-4H3,(H,16,21)
InChIKeyHOZDWXJOOJXFEI-UHFFFAOYSA-N
XLogP-0.98
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl sialic acid
CID 129711383
5-acetamido-3-ethyl-2-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 152972501
5-acetamido-2-fluoro-4-hydroxy-3-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 173747915
(2R)-4-(acetamidomethyl)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 173929775
(2S,4R,5R)-5-(acetamidomethyl)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 134973406
(2R,4R,5R)-5-acetamido-4-hydroxy-2-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 138966654
4,5-dihydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
CID 20683782
5-Acetamido-4-hydroxy-2-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 20683795
5-acetamido-4-hydroxy-2-methyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
CID 20683796
(2R,3R,4S,5S)-N-heptyl-3-hydroxy-4-methoxy-5methyltetrahydro-2H-pyran-2-carboxamide
CID 57105024
(2S,3R,4S,5S)-N-heptyl-3-hydroxy-4-methoxy-5-methyloxane-2-carboxamide
CID 57297114
4,5-dihydroxy-3,6-bis(methoxymethyl)-N-methyloxane-2-carboxamide
CID 58766215

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The IUPAC name of 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (CID 20683790) is 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.
What is the SMILES notation for 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The canonical SMILES for 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is CC(C)CNC(=O)C1(C)CC(O)C(C)C(C(O)C(O)CO)O1.
What is the InChIKey of 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The InChIKey is HOZDWXJOOJXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-8(2)6-16-14(21)15(4)5-10(18)9(3)13(22-15)12(20)11(19)7-17/h8-13,17-20H,5-7H2,1-4H3,(H,16,21).
What are the key properties of 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of -0.98, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-dimethyl-N-(2-methylpropyl)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is sourced from PubChem (CID 20683790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).