4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one

C11H22N2O2 — CID 138496089

IUPAC4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one
SMILESCC(C)NCCN1OCC(C(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-8(2)10-7-15-13(11(10)14)6-5-12-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyHYAACHCNTMITHK-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.03
Rot. Bonds5

About 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one

4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one (PubChem CID 138496089) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one
PubChem CID138496089
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one
SMILESCC(C)NCCN1OCC(C(C)C)C1=O
InChIInChI=1S/C11H22N2O2/c1-8(2)10-7-15-13(11(10)14)6-5-12-9(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyHYAACHCNTMITHK-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-methoxypropanamide
CID 91922786
2-[(2,2-dimethylpropanoylamino)oxymethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 139253855
2-[2-(Ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one
CID 142400236
N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 146312735
ethane;N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 153395469
N-[(4R)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 156532509
N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 166529374
N-[(4S)-2-ethyl-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 166529375
N-(2-ethyl-1,2-oxazolidin-4-yl)-2-methylpropanamide
CID 166529376
N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylpropanamide
CID 170088304
N-[(4S)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylpropanamide
CID 170088309
N-[2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 62659563

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one (CID 138496089) is 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one is CC(C)NCCN1OCC(C(C)C)C1=O.
What is the InChIKey of 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one?
The InChIKey is HYAACHCNTMITHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10-7-15-13(11(10)14)6-5-12-9(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one?
4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one has a molecular weight of 214.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[2-(propan-2-ylamino)ethyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 138496089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).