N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide

C13H25NO4 — CID 138023760

IUPACN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)C(C)(C)C1CCOCC1
InChIInChI=1S/C13H25NO4/c1-9(16)11(8-15)14-12(17)13(2,3)10-4-6-18-7-5-10/h9-11,15-16H,4-8H2,1-3H3,(H,14,17)/t9-,11-/m1/s1
InChIKeyOIPPFRLYRAQFOD-MWLCHTKSSA-N
MW259.35 g/mol
LogP0.30
Rot. Bonds5

About N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide

N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide (PubChem CID 138023760) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
PubChem CID138023760
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide
SMILESC[C@@H](O)[C@@H](CO)NC(=O)C(C)(C)C1CCOCC1
InChIInChI=1S/C13H25NO4/c1-9(16)11(8-15)14-12(17)13(2,3)10-4-6-18-7-5-10/h9-11,15-16H,4-8H2,1-3H3,(H,14,17)/t9-,11-/m1/s1
InChIKeyOIPPFRLYRAQFOD-MWLCHTKSSA-N
XLogP0.30
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
2-methyl-2-(oxan-4-yl)propanoyl chloride
CID 87333065
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
3-methyl-2-[[[2-methyl-2-(oxan-4-yl)propyl]amino]methyl]butan-1-ol
CID 115252302
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
CID 115159157
N-tert-butyl-2-(oxan-4-ylmethylamino)propanamide
CID 55210335
(2S)-3-methyl-2-[1-(oxan-4-yl)propan-2-ylamino]butan-1-ol
CID 103788127
2-methyl-N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 156518098
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
2,3-dimethyl-2-(oxan-4-yl)butanamide
CID 126509080
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 110001751

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide (CID 138023760) is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide is C[C@@H](O)[C@@H](CO)NC(=O)C(C)(C)C1CCOCC1.
What is the InChIKey of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
The InChIKey is OIPPFRLYRAQFOD-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(16)11(8-15)14-12(17)13(2,3)10-4-6-18-7-5-10/h9-11,15-16H,4-8H2,1-3H3,(H,14,17)/t9-,11-/m1/s1.
What are the key properties of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide?
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methyl-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 138023760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).