N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide

C13H26N2O3 — CID 106148282

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H26N2O3/c1-13(2,5-4-6-16)9-15-12(17)10-7-18-8-11(10)14-3/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyMMEHUSIJMWOSJI-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.14
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 106148282) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID106148282
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C13H26N2O3/c1-13(2,5-4-6-16)9-15-12(17)10-7-18-8-11(10)14-3/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyMMEHUSIJMWOSJI-UHFFFAOYSA-N
XLogP0.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)morpholine-3-carboxamide
CID 114150111
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 114155776
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 114010610
N-[3-(hydroxymethyl)pentan-3-yl]-4-(methylamino)oxolane-3-carboxamide
CID 66265856
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 113307998
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920590
N-[2-(dimethylamino)-2-methylpropyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66259668
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
4-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]oxolane-3-carboxamide
CID 106255289

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide (CID 106148282) is N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is MMEHUSIJMWOSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,5-4-6-16)9-15-12(17)10-7-18-8-11(10)14-3/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106148282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).