N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide

C16H22N2O2 — CID 63564425

IUPACN-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
SMILESNc1ccc(OCCNC(=O)CC2=CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-14-6-8-15(9-7-14)20-11-10-18-16(19)12-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12,17H2,(H,18,19)
InChIKeyXQLGNLZPAVPQKE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide

N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 63564425) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
PubChem CID63564425
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
SMILESNc1ccc(OCCNC(=O)CC2=CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-14-6-8-15(9-7-14)20-11-10-18-16(19)12-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12,17H2,(H,18,19)
InChIKeyXQLGNLZPAVPQKE-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
CID 110022186
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
N-[2-(4-aminophenoxy)ethyl]-2-cycloheptylacetamide
CID 114457049
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N-[2-(4-aminophenoxy)ethyl]-3,3,3-trifluoropropanamide
CID 54915197
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55352111
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide (CID 63564425) is N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide is Nc1ccc(OCCNC(=O)CC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is XQLGNLZPAVPQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-6-8-15(9-7-14)20-11-10-18-16(19)12-13-4-2-1-3-5-13/h4,6-9H,1-3,5,10-12,17H2,(H,18,19).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide?
N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.65, 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-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 63564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).