3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide

C17H17NO3 — CID 146022356

IUPAC3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)COC1
InChIInChI=1S/C17H17NO3/c1-17(11-20-12-17)16(19)18-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyHWSJJHVFQRDVOF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.45
Rot. Bonds4

About 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide

3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide (PubChem CID 146022356) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
PubChem CID146022356
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)COC1
InChIInChI=1S/C17H17NO3/c1-17(11-20-12-17)16(19)18-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyHWSJJHVFQRDVOF-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
phenoxybenzene;N-phenylacetamide
CID 174350344
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
CID 167232888
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970739

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide (CID 146022356) is 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide is CC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)COC1.
What is the InChIKey of 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide?
The InChIKey is HWSJJHVFQRDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(11-20-12-17)16(19)18-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide?
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 146022356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).