N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide

C12H22N2O3 — CID 143418847

IUPACN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCOCC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNMVVBKHTALVTGV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.43
Rot. Bonds3

About N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide (PubChem CID 143418847) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide
PubChem CID143418847
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCOCC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNMVVBKHTALVTGV-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide (CID 143418847) is N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide is CC(C)(C)C(NC(=O)C1CCOCC1)C(N)=O.
What is the InChIKey of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide?
The InChIKey is NMVVBKHTALVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)9(10(13)15)14-11(16)8-4-6-17-7-5-8/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide?
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 143418847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).