3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide

C15H21NO3 — CID 115185485

IUPAC3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)COC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-14(2,12-6-4-3-5-7-12)8-16-13(18)15(9-17)10-19-11-15/h3-7,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyAAYSTMFFKPBKSD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.09
Rot. Bonds5

About 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide

3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide (PubChem CID 115185485) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
PubChem CID115185485
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
SMILESCC(C)(CNC(=O)C1(CO)COC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-14(2,12-6-4-3-5-7-12)8-16-13(18)15(9-17)10-19-11-15/h3-7,17H,8-11H2,1-2H3,(H,16,18)
InChIKeyAAYSTMFFKPBKSD-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
N-[2-(4-bromophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182484
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide (CID 115185485) is 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide is CC(C)(CNC(=O)C1(CO)COC1)c1ccccc1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide?
The InChIKey is AAYSTMFFKPBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,12-6-4-3-5-7-12)8-16-13(18)15(9-17)10-19-11-15/h3-7,17H,8-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide?
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).