N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide

C13H17NO3 — CID 79759466

IUPACN-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H17NO3/c1-9-12(5-6-17-9)13(16)14-11-4-2-3-10(7-11)8-15/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyKTKZMFLMCUASAN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.54
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide

N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide (PubChem CID 79759466) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
PubChem CID79759466
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H17NO3/c1-9-12(5-6-17-9)13(16)14-11-4-2-3-10(7-11)8-15/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyKTKZMFLMCUASAN-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
N-[3-(aminomethyl)phenyl]-3-methyloxane-4-carboxamide
CID 114240858
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
CID 138045892
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759025
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79763807
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide (CID 79759466) is N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide?
The InChIKey is KTKZMFLMCUASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-12(5-6-17-9)13(16)14-11-4-2-3-10(7-11)8-15/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide?
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79759466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).