N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide

C11H22N2O2 — CID 115365661

IUPACN-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
SMILESCC(C)(CN)CNC(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,7-12)8-13-10(14)9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyDOTNLGZDPBHBOH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.51
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide (PubChem CID 115365661) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
PubChem CID115365661
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
SMILESCC(C)(CN)CNC(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,7-12)8-13-10(14)9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyDOTNLGZDPBHBOH-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)oxane-4-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-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide
CID 146256251
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
CID 175659475
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
CID 115159157
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113068065

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide (CID 115365661) is N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide is CC(C)(CN)CNC(=O)C1CCOCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide?
The InChIKey is DOTNLGZDPBHBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,7-12)8-13-10(14)9-3-5-15-6-4-9/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 115365661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).