N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide

C13H24N2O2 — CID 115159157

IUPACN-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CNC1)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,11-3-5-17-6-4-11)9-15-12(16)10-7-14-8-10/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyXGQOYJSGPQXRAV-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.77
Rot. Bonds4

About N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide

N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide (PubChem CID 115159157) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
PubChem CID115159157
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CNC1)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,11-3-5-17-6-4-11)9-15-12(16)10-7-14-8-10/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyXGQOYJSGPQXRAV-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
CID 115159666
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
CID 115194315
2-methyl-3-[[2-methyl-2-(oxan-4-yl)propyl]amino]-3-oxopropanoic acid
CID 115164424
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
1-(hydroxymethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclopropane-1-carboxamide
CID 115182500
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
1-(aminomethyl)-N-[2-methyl-2-(oxan-4-yl)propyl]cyclobutane-1-carboxamide
CID 115183609
N-(2-hydroxy-4-methoxy-2-methylbutyl)azetidine-3-carboxamide
CID 106254571
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine
CID 115119209
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide (CID 115159157) is N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide is CC(C)(CNC(=O)C1CNC1)C1CCOCC1.
What is the InChIKey of N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide?
The InChIKey is XGQOYJSGPQXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,11-3-5-17-6-4-11)9-15-12(16)10-7-14-8-10/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide?
N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(oxan-4-yl)propyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).