3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide

C11H16N2O3 — CID 115185619

IUPAC3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2(CN)COC2)o1
InChIInChI=1S/C11H16N2O3/c1-8-3-4-9(16-8)13(2)10(14)11(5-12)6-15-7-11/h3-4H,5-7,12H2,1-2H3
InChIKeyNLHOQIBYOZYVJZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.53
Rot. Bonds3

About 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide

3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide (PubChem CID 115185619) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
PubChem CID115185619
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
SMILESCc1ccc(N(C)C(=O)C2(CN)COC2)o1
InChIInChI=1S/C11H16N2O3/c1-8-3-4-9(16-8)13(2)10(14)11(5-12)6-15-7-11/h3-4H,5-7,12H2,1-2H3
InChIKeyNLHOQIBYOZYVJZ-UHFFFAOYSA-N
XLogP0.53
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
3-(aminomethyl)-N-(5-methylfuran-2-yl)oxetane-3-carboxamide
CID 115185551
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
3-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185700
N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
CID 115194566
ethyl 2-[methyl-(5-methylfuran-2-yl)amino]-2-oxoacetate
CID 115141938
N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
CID 115175550
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
4-(hydroxymethyl)-N-methyl-N-(5-methylfuran-2-yl)cyclohexane-1-carboxamide
CID 115151184
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide (CID 115185619) is 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide is Cc1ccc(N(C)C(=O)C2(CN)COC2)o1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
The InChIKey is NLHOQIBYOZYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-3-4-9(16-8)13(2)10(14)11(5-12)6-15-7-11/h3-4H,5-7,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide?
3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(5-methylfuran-2-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115185619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).