2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide

C17H26N2O2 — CID 102902341

IUPAC2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
SMILESNc1ccccc1CCOCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-16-10-6-5-7-14(16)11-12-21-13-17(20)19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-13,18H2,(H,19,20)
InChIKeyLSFKQLLQVOBNBR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide

2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide (PubChem CID 102902341) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
PubChem CID102902341
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide
SMILESNc1ccccc1CCOCC(=O)NC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-16-10-6-5-7-14(16)11-12-21-13-17(20)19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-13,18H2,(H,19,20)
InChIKeyLSFKQLLQVOBNBR-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
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'}

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Related Compounds

3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
2-[2-(2-aminophenyl)ethoxy]-N-cyclopropyl-N-ethylacetamide
CID 102902326
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 107077355
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
2-(2-aminophenyl)-N-(thian-4-yl)acetamide
CID 115753416
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
N-cycloheptyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 62548783
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide (CID 102902341) is 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide is Nc1ccccc1CCOCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide?
The InChIKey is LSFKQLLQVOBNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16-10-6-5-7-14(16)11-12-21-13-17(20)19-15-8-3-1-2-4-9-15/h5-7,10,15H,1-4,8-9,11-13,18H2,(H,19,20).
What are the key properties of 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide?
2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 102902341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).