2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C14H20N2O2 — CID 43533746

IUPAC2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1N)C1CCCO1
InChIInChI=1S/C14H20N2O2/c1-10(13-7-4-8-18-13)16-14(17)9-11-5-2-3-6-12(11)15/h2-3,5-6,10,13H,4,7-9,15H2,1H3,(H,16,17)
InChIKeyZCYJAZSWOQYELA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 43533746) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID43533746
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccccc1N)C1CCCO1
InChIInChI=1S/C14H20N2O2/c1-10(13-7-4-8-18-13)16-14(17)9-11-5-2-3-6-12(11)15/h2-3,5-6,10,13H,4,7-9,15H2,1H3,(H,16,17)
InChIKeyZCYJAZSWOQYELA-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'}

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Related Compounds

2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 43533746) is 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)Cc1ccccc1N)C1CCCO1.
What is the InChIKey of 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is ZCYJAZSWOQYELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(13-7-4-8-18-13)16-14(17)9-11-5-2-3-6-12(11)15/h2-3,5-6,10,13H,4,7-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]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-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 43533746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).