N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

C13H26N2O3 — CID 75536512

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)6-11(16)14-7-10-12(17)9(8-18-10)15(4)5/h9-10,12,17H,6-8H2,1-5H3,(H,14,16)/t9-,10-,12+/m1/s1
InChIKeyADEABMIOOCQJNK-FOGDFJRCSA-N
MW258.36 g/mol
LogP0.23
Rot. Bonds4

About N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75536512) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75536512
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)6-11(16)14-7-10-12(17)9(8-18-10)15(4)5/h9-10,12,17H,6-8H2,1-5H3,(H,14,16)/t9-,10-,12+/m1/s1
InChIKeyADEABMIOOCQJNK-FOGDFJRCSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75536512) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is CN(C)[C@@H]1CO[C@H](CNC(=O)CC(C)(C)C)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is ADEABMIOOCQJNK-FOGDFJRCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)6-11(16)14-7-10-12(17)9(8-18-10)15(4)5/h9-10,12,17H,6-8H2,1-5H3,(H,14,16)/t9-,10-,12+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).