N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide

C12H24N2O2 — CID 115305753

IUPACN-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCC(C)O1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyPJVUCXMDXKRKTM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide

N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide (PubChem CID 115305753) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
PubChem CID115305753
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCC(C)O1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyPJVUCXMDXKRKTM-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide (CID 115305753) is N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide is CCC(N)(CC)CNC(=O)C1CCC(C)O1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide?
The InChIKey is PJVUCXMDXKRKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-7-6-9(3)16-10/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide?
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 115305753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).