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

C14H28N2O3 — CID 65051871

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-5-13(3,4)16-12(17)11(2)19-14(10-15)6-8-18-9-7-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeySHLKXIFJHQAEBV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.20
Rot. Bonds6

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

2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide (PubChem CID 65051871) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide
PubChem CID65051871
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-5-13(3,4)16-12(17)11(2)19-14(10-15)6-8-18-9-7-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKeySHLKXIFJHQAEBV-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.20
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-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide (CID 65051871) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)OC1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is SHLKXIFJHQAEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-13(3,4)16-12(17)11(2)19-14(10-15)6-8-18-9-7-14/h11H,5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 1.20, 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-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 65051871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).