N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide

C13H17NO3 — CID 65155963

IUPACN-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(CO)c1
InChIInChI=1S/C13H17NO3/c15-9-10-3-1-4-11(7-10)14-13(16)8-12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16)
InChIKeyFBRRLPUVPJOCCP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds4

About N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide

N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65155963) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID65155963
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(CO)c1
InChIInChI=1S/C13H17NO3/c15-9-10-3-1-4-11(7-10)14-13(16)8-12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16)
InChIKeyFBRRLPUVPJOCCP-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide 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-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide (CID 65155963) is N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is FBRRLPUVPJOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-10-3-1-4-11(7-10)14-13(16)8-12-5-2-6-17-12/h1,3-4,7,12,15H,2,5-6,8-9H2,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 235.28 g/mol, XLogP of 1.69, 4 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-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).