2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide

C14H20N2O2 — CID 103950989

IUPAC2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-2-3-9-18-10-8-16-14(17)11-12-6-4-5-7-13(12)15/h2,4-7H,1,3,8-11,15H2,(H,16,17)
InChIKeyRTQLIIGTSBZQAS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds8

About 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide

2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide (PubChem CID 103950989) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
PubChem CID103950989
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C14H20N2O2/c1-2-3-9-18-10-8-16-14(17)11-12-6-4-5-7-13(12)15/h2,4-7H,1,3,8-11,15H2,(H,16,17)
InChIKeyRTQLIIGTSBZQAS-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)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-(2-but-3-enoxyethyl)acetamide
CID 106398038
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 114126710
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
2-but-3-enoxyethylurea
CID 103852774
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide (CID 103950989) is 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide is C=CCCOCCNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide?
The InChIKey is RTQLIIGTSBZQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-9-18-10-8-16-14(17)11-12-6-4-5-7-13(12)15/h2,4-7H,1,3,8-11,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide?
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide is sourced from PubChem (CID 103950989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).