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

C15H22N2O3 — CID 65051814

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
SMILESNCC1(OCC(=O)NCc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-12-15(6-8-19-9-7-15)20-11-14(18)17-10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18)
InChIKeyMFUKKWSCGIIHJX-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.83
Rot. Bonds6

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

2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide (PubChem CID 65051814) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
PubChem CID65051814
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
SMILESNCC1(OCC(=O)NCc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-12-15(6-8-19-9-7-15)20-11-14(18)17-10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18)
InChIKeyMFUKKWSCGIIHJX-UHFFFAOYSA-N
XLogP0.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-phenylethoxy)oxan-4-yl]methanamine
CID 65051705
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
2-[(1-aminocycloheptyl)methoxy]-N-benzylacetamide
CID 64549778
(3-phenylmethoxyoxolan-3-yl)methanamine
CID 115025185
1-benzyl-3-morpholin-4-ylurea
CID 107653208
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
4-(aminomethyl)-N-[[3-(phenylcarbamoylamino)phenyl]methyl]oxane-4-carboxamide
CID 120930371
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
N-benzyl-3-methoxyoxolane-3-carboxamide
CID 131015413

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide (CID 65051814) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide is NCC1(OCC(=O)NCc2ccccc2)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide?
The InChIKey is MFUKKWSCGIIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-12-15(6-8-19-9-7-15)20-11-14(18)17-10-13-4-2-1-3-5-13/h1-5H,6-12,16H2,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide has a molecular weight of 278.35 g/mol, XLogP of 0.83, 6 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-benzylacetamide is sourced from PubChem (CID 65051814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).