N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

C14H19NO3 — CID 115185258

IUPACN-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C14H19NO3/c1-3-11-4-6-12(7-5-11)15(2)13(17)14(8-16)9-18-10-14/h4-7,16H,3,8-10H2,1-2H3
InChIKeyADXSVFGITBXFHO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.22
Rot. Bonds4

About N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide

N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (PubChem CID 115185258) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
PubChem CID115185258
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(CO)COC2)cc1
InChIInChI=1S/C14H19NO3/c1-3-11-4-6-12(7-5-11)15(2)13(17)14(8-16)9-18-10-14/h4-7,16H,3,8-10H2,1-2H3
InChIKeyADXSVFGITBXFHO-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide (CID 115185258) is N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is CCc1ccc(N(C)C(=O)C2(CO)COC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
The InChIKey is ADXSVFGITBXFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11-4-6-12(7-5-11)15(2)13(17)14(8-16)9-18-10-14/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide?
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).