3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide

C13H17NO2 — CID 116876228

IUPAC3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
SMILESCc1ccc(C2(C(N)=O)COC2)c(C)c1C
InChIInChI=1S/C13H17NO2/c1-8-4-5-11(10(3)9(8)2)13(12(14)15)6-16-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15)
InChIKeyRMTGLYDESHRMAM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.37
Rot. Bonds2

About 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide

3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide (PubChem CID 116876228) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
PubChem CID116876228
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide
SMILESCc1ccc(C2(C(N)=O)COC2)c(C)c1C
InChIInChI=1S/C13H17NO2/c1-8-4-5-11(10(3)9(8)2)13(12(14)15)6-16-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15)
InChIKeyRMTGLYDESHRMAM-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide (CID 116876228) is 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide is Cc1ccc(C2(C(N)=O)COC2)c(C)c1C.
What is the InChIKey of 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide?
The InChIKey is RMTGLYDESHRMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-4-5-11(10(3)9(8)2)13(12(14)15)6-16-7-13/h4-5H,6-7H2,1-3H3,(H2,14,15).
What are the key properties of 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide?
3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 116876228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).