N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide

C17H26N2O2 — CID 114457049

IUPACN-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
SMILESNc1ccc(OCCNC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c18-15-7-9-16(10-8-15)21-12-11-19-17(20)13-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13,18H2,(H,19,20)
InChIKeyNMCOWFICALPGSX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide

N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide (PubChem CID 114457049) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
PubChem CID114457049
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
SMILESNc1ccc(OCCNC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c18-15-7-9-16(10-8-15)21-12-11-19-17(20)13-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13,18H2,(H,19,20)
InChIKeyNMCOWFICALPGSX-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide 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

3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
N-[2-[3,4-bis(hydroxymethyl)phenoxy]ethyl]-2-cyclopentylacetamide
CID 121353408
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202945
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
CID 63564425
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
2-cyclopentyl-N-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 111116192

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide (CID 114457049) is N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide is Nc1ccc(OCCNC(=O)CC2CCCCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide?
The InChIKey is NMCOWFICALPGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15-7-9-16(10-8-15)21-12-11-19-17(20)13-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-13,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide?
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide has a molecular weight of 290.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114457049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).