3-(4-butan-2-ylphenyl)oxetane-3-carboxamide

C14H19NO2 — CID 116876145

IUPAC3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
SMILESCCC(C)c1ccc(C2(C(N)=O)COC2)cc1
InChIInChI=1S/C14H19NO2/c1-3-10(2)11-4-6-12(7-5-11)14(13(15)16)8-17-9-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeyBTIKZBXOAJPLTD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds4

About 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide

3-(4-butan-2-ylphenyl)oxetane-3-carboxamide (PubChem CID 116876145) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
PubChem CID116876145
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(4-butan-2-ylphenyl)oxetane-3-carboxamide
SMILESCCC(C)c1ccc(C2(C(N)=O)COC2)cc1
InChIInChI=1S/C14H19NO2/c1-3-10(2)11-4-6-12(7-5-11)14(13(15)16)8-17-9-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeyBTIKZBXOAJPLTD-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butan-2-ylphenyl)-N-methylcyclopropane-1-carbohydrazide
CID 116846034
3-(4-butan-2-ylphenyl)-3-(2-chloroethyl)oxetane
CID 116871483
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
3-[3-(4-butan-2-ylphenyl)oxetan-3-yl]propanenitrile
CID 116873347
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
4-butan-2-ylbenzohydrazide
CID 83386529
2-amino-3-(4-butan-2-ylphenyl)propanamide
CID 116850831
[1-(4-butan-2-ylphenyl)-2,2-dimethylcyclopropyl]methanol
CID 116842627
3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876214
ethyl 2-(4-butan-2-ylphenyl)butanoate
CID 10490801
amino 4-butan-2-ylbenzoate
CID 89484351

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide (CID 116876145) is 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide is CCC(C)c1ccc(C2(C(N)=O)COC2)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide?
The InChIKey is BTIKZBXOAJPLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10(2)11-4-6-12(7-5-11)14(13(15)16)8-17-9-14/h4-7,10H,3,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide?
3-(4-butan-2-ylphenyl)oxetane-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 116876145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).