2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide

C14H20N2O — CID 115753474

IUPAC2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
SMILESNc1ccccc1CC(=O)NCCCC1CC1
InChIInChI=1S/C14H20N2O/c15-13-6-2-1-5-12(13)10-14(17)16-9-3-4-11-7-8-11/h1-2,5-6,11H,3-4,7-10,15H2,(H,16,17)
InChIKeyVWOCADQFWUOFAY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide

2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide (PubChem CID 115753474) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
PubChem CID115753474
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
SMILESNc1ccccc1CC(=O)NCCCC1CC1
InChIInChI=1S/C14H20N2O/c15-13-6-2-1-5-12(13)10-14(17)16-9-3-4-11-7-8-11/h1-2,5-6,11H,3-4,7-10,15H2,(H,16,17)
InChIKeyVWOCADQFWUOFAY-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)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-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
2-[[2-(4-methylcyclohexyl)ethylamino]methyl]aniline
CID 66419053
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide (CID 115753474) is 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide is Nc1ccccc1CC(=O)NCCCC1CC1.
What is the InChIKey of 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide?
The InChIKey is VWOCADQFWUOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-6-2-1-5-12(13)10-14(17)16-9-3-4-11-7-8-11/h1-2,5-6,11H,3-4,7-10,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide?
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide has a molecular weight of 232.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide is sourced from PubChem (CID 115753474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).