4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide

C12H23N3O3 — CID 66240457

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1COCC1N
InChIInChI=1S/C12H23N3O3/c1-12(2,3)14-10(16)5-15(4)11(17)8-6-18-7-9(8)13/h8-9H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyFSLWZLAGTSQNPC-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.67
Rot. Bonds3

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide (PubChem CID 66240457) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
PubChem CID66240457
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)C1COCC1N
InChIInChI=1S/C12H23N3O3/c1-12(2,3)14-10(16)5-15(4)11(17)8-6-18-7-9(8)13/h8-9H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyFSLWZLAGTSQNPC-UHFFFAOYSA-N
XLogP-0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide (CID 66240457) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide?
The InChIKey is FSLWZLAGTSQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)14-10(16)5-15(4)11(17)8-6-18-7-9(8)13/h8-9H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66240457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).