2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C14H20N2O2 — CID 61430866

IUPAC2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,15H2,1H3
InChIKeyCWHAHQXZIHYMRT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds4

About 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61430866) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61430866
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,15H2,1H3
InChIKeyCWHAHQXZIHYMRT-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-methyl-N-(oxolan-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-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733181
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 43458438
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
oxolan-2-ylmethyl 2-(2-aminophenyl)acetate
CID 61308884
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 61430866) is 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CWHAHQXZIHYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10,15H2,1H3.
What are the key properties of 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61430866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).