N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide

C13H17NO3 — CID 113347521

IUPACN-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9-12(6-7-17-9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyJGROVUVOYOICSO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.43
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide (PubChem CID 113347521) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
PubChem CID113347521
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-9-12(6-7-17-9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16)
InChIKeyJGROVUVOYOICSO-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
CID 113264520
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
5-[[(2-methyloxolane-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099650
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyloxolane-3-carbonyl)amino]propanoic acid
CID 79754853
N-[(4-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 114332153
(2S,3S)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349544
(2S,3R)-2-methyl-N-[(6-methyl-3-pyridinyl)methyl]oxane-3-carboxamide
CID 129349546
(2R,3R)-2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]oxane-3-carboxamide
CID 129401715
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyloxolane-3-carboxamide
CID 136519835
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide (CID 113347521) is N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is JGROVUVOYOICSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-12(6-7-17-9)13(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,12,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 113347521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).