2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide

C14H20N2O2 — CID 55014268

IUPAC2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCC1CCCCO1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-5-11(13)9-14(17)16-10-12-6-3-4-8-18-12/h1-2,5,7,12H,3-4,6,8-10,15H2,(H,16,17)
InChIKeyVOFVZBJEOKZAEJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide

2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide (PubChem CID 55014268) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
PubChem CID55014268
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCC1CCCCO1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-5-11(13)9-14(17)16-10-12-6-3-4-8-18-12/h1-2,5,7,12H,3-4,6,8-10,15H2,(H,16,17)
InChIKeyVOFVZBJEOKZAEJ-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)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

2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
CID 62021688
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
N'-(2-aminobenzoyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507625
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide (CID 55014268) is 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide is Nc1ccccc1CC(=O)NCC1CCCCO1.
What is the InChIKey of 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is VOFVZBJEOKZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-2-1-5-11(13)9-14(17)16-10-12-6-3-4-8-18-12/h1-2,5,7,12H,3-4,6,8-10,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide?
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 55014268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).