2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide

C11H22N2O3 — CID 65052090

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COC1(CN)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(2)13-10(14)7-16-11(8-12)3-5-15-6-4-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYDPBNSWSVKRHFD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.04
Rot. Bonds5

About 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide

2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide (PubChem CID 65052090) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
PubChem CID65052090
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COC1(CN)CCOCC1
InChIInChI=1S/C11H22N2O3/c1-9(2)13-10(14)7-16-11(8-12)3-5-15-6-4-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyYDPBNSWSVKRHFD-UHFFFAOYSA-N
XLogP0.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
CID 65051854
1-[4-(aminomethyl)oxan-4-yl]oxypropan-2-ol
CID 65051975
2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
CID 65051814
2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
CID 65051437
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
(4-propoxyoxan-4-yl)methanamine
CID 65051760
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide (CID 65052090) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide is CC(C)NC(=O)COC1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide?
The InChIKey is YDPBNSWSVKRHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)13-10(14)7-16-11(8-12)3-5-15-6-4-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide has a molecular weight of 230.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 65052090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).