N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide

C13H18N2O2 — CID 82716841

IUPACN-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2C)cc1
InChIInChI=1S/C13H18N2O2/c1-9-13(7-8-17-9)15-12-5-3-11(4-6-12)14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyJBHPSNQTEDMUGX-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.23
Rot. Bonds3

About N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide

N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide (PubChem CID 82716841) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
PubChem CID82716841
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2C)cc1
InChIInChI=1S/C13H18N2O2/c1-9-13(7-8-17-9)15-12-5-3-11(4-6-12)14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyJBHPSNQTEDMUGX-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-methyloxolan-3-yl)amino]phenyl]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-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
CID 82736980
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
CID 97332615
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
4-[(2-methyloxolan-3-yl)amino]-2-(trifluoromethyl)benzoic acid
CID 82737217
1-[5-[(2-methyloxolan-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 82727443
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-[4-[(2-tert-butylcyclohexyl)amino]phenyl]acetamide
CID 43097277
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide (CID 82716841) is N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CCOC2C)cc1.
What is the InChIKey of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
The InChIKey is JBHPSNQTEDMUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-13(7-8-17-9)15-12-5-3-11(4-6-12)14-10(2)16/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide?
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82716841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).