N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide

C12H24N2O2 — CID 66267245

IUPACN-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)9(3)5-14-12(15)10-6-16-7-11(10)13-4/h8-11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyZHWJOYUYHIDOGX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.63
Rot. Bonds5

About N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide

N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267245) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267245
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC(C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)9(3)5-14-12(15)10-6-16-7-11(10)13-4/h8-11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyZHWJOYUYHIDOGX-UHFFFAOYSA-N
XLogP0.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(2-piperidin-1-ylpropyl)oxolane-3-carboxamide
CID 66267013
N-(2-hydroxy-3-methoxypropyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266669
N-(1-hydroxy-3-methylbutan-2-yl)-4-(methylamino)oxolane-3-carboxamide
CID 79249718
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-heptan-2-yl-4-(methylamino)oxolane-3-carboxamide
CID 66267744
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
N-(2-cyclopropylpropyl)-4-(ethylamino)oxolane-3-carboxamide
CID 113475270
4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
CID 66267404
3,3-dimethyl-2-[[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66266624
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
N-[2-(ethylsulfamoyl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 106337013
N-(5-hydroxy-2,2-dimethylpentyl)-4-(methylamino)oxolane-3-carboxamide
CID 106148282

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide (CID 66267245) is N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is ZHWJOYUYHIDOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)9(3)5-14-12(15)10-6-16-7-11(10)13-4/h8-11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).