3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide

C14H27NO2 — CID 123769535

IUPAC3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide
SMILESCC(C)(C)CC(C)(C)CNC(=O)C1(C)COC1
InChIInChI=1S/C14H27NO2/c1-12(2,3)7-13(4,5)8-15-11(16)14(6)9-17-10-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyYPGMNDQQDYOBSJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds4

About 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide

3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide (PubChem CID 123769535) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide
PubChem CID123769535
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide
SMILESCC(C)(C)CC(C)(C)CNC(=O)C1(C)COC1
InChIInChI=1S/C14H27NO2/c1-12(2,3)7-13(4,5)8-15-11(16)14(6)9-17-10-14/h7-10H2,1-6H3,(H,15,16)
InChIKeyYPGMNDQQDYOBSJ-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide (CID 123769535) is 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide is CC(C)(C)CC(C)(C)CNC(=O)C1(C)COC1.
What is the InChIKey of 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide?
The InChIKey is YPGMNDQQDYOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2,3)7-13(4,5)8-15-11(16)14(6)9-17-10-14/h7-10H2,1-6H3,(H,15,16).
What are the key properties of 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide?
3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide is sourced from PubChem (CID 123769535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).