2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide

C12H24N2O3 — CID 65052091

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)14-10(15)8-17-12(9-13)4-6-16-7-5-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeySLQZSYPCTLMSME-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds4

About 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide

2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide (PubChem CID 65052091) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide
PubChem CID65052091
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)COC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)14-10(15)8-17-12(9-13)4-6-16-7-5-12/h4-9,13H2,1-3H3,(H,14,15)
InChIKeySLQZSYPCTLMSME-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide (CID 65052091) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide is CC(C)(C)NC(=O)COC1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide?
The InChIKey is SLQZSYPCTLMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)14-10(15)8-17-12(9-13)4-6-16-7-5-12/h4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 4 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-tert-butylacetamide is sourced from PubChem (CID 65052091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).