4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide

C11H22N2O2 — CID 115293667

IUPAC4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
SMILESCC(C)CN(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-13(3)10(14)11(12)4-6-15-7-5-11/h9H,4-8,12H2,1-3H3
InChIKeyNDQFTTXSLLDLDS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide

4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide (PubChem CID 115293667) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
PubChem CID115293667
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
SMILESCC(C)CN(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-9(2)8-13(3)10(14)11(12)4-6-15-7-5-11/h9H,4-8,12H2,1-3H3
InChIKeyNDQFTTXSLLDLDS-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
CID 104551857
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677
3-amino-N-ethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64892702
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
CID 115293731
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
4-amino-N-methoxy-N-methyloxane-4-carboxamide
CID 115294673
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide
CID 115294696
1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 43295917
3-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)oxolane-3-carboxamide
CID 64891152

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide (CID 115293667) is 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide is CC(C)CN(C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide?
The InChIKey is NDQFTTXSLLDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)8-13(3)10(14)11(12)4-6-15-7-5-11/h9H,4-8,12H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide?
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 115293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).