N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide

C12H24N2O2 — CID 114826466

IUPACN-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1COC(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-6-9(3)16-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQOWATANFVUVCPP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide

N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide (PubChem CID 114826466) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
PubChem CID114826466
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1COC(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-6-9(3)16-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyQOWATANFVUVCPP-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-aminobutyl)-5-methyloxolane-3-carboxamide
CID 114823568
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyloxolane-3-carboxamide
CID 107868115
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide (CID 114826466) is N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide is CCC(N)(CC)CNC(=O)C1COC(C)C1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide?
The InChIKey is QOWATANFVUVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(13,5-2)8-14-11(15)10-6-9(3)16-7-10/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide?
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 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-3-carboxamide is sourced from PubChem (CID 114826466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).