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

C14H19NO3 — CID 115185456

IUPAC3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(CO)COC1
InChIInChI=1S/C14H19NO3/c1-15(8-7-12-5-3-2-4-6-12)13(17)14(9-16)10-18-11-14/h2-6,16H,7-11H2,1H3
InChIKeyVFJZKKALZNZGHD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds5

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

3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide (PubChem CID 115185456) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
PubChem CID115185456
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)C1(CO)COC1
InChIInChI=1S/C14H19NO3/c1-15(8-7-12-5-3-2-4-6-12)13(17)14(9-16)10-18-11-14/h2-6,16H,7-11H2,1H3
InChIKeyVFJZKKALZNZGHD-UHFFFAOYSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438
N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185381
1-(hydroxymethyl)-N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182456
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388
1-carbamothioyl-N-methyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 80591313
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
CID 115185783
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
CID 115185474
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185258
N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185386

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide (CID 115185456) is 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide is CN(CCc1ccccc1)C(=O)C1(CO)COC1.
What is the InChIKey of 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide?
The InChIKey is VFJZKKALZNZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(8-7-12-5-3-2-4-6-12)13(17)14(9-16)10-18-11-14/h2-6,16H,7-11H2,1H3.
What are the key properties of 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide?
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).