2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide

C16H22N2O2 — CID 61036345

IUPAC2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(N)cc1)C1=CCCCC1
InChIInChI=1S/C16H22N2O2/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h6,8-11H,2-5,7,12,17H2,1H3
InChIKeyYPYRBICQXDZMGE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide

2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 61036345) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID61036345
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(N)cc1)C1=CCCCC1
InChIInChI=1S/C16H22N2O2/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h6,8-11H,2-5,7,12,17H2,1H3
InChIKeyYPYRBICQXDZMGE-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethoxy]benzamide
CID 17436521
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
CID 24585380
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 18276441
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 18138750
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
2-(4-aminophenoxy)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 61092927
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79836851
N-(cyclopenten-1-yl)-N-methyl-2-[4-(methylaminomethyl)phenoxy]acetamide
CID 106486164

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 61036345) is 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)COc1ccc(N)cc1)C1=CCCCC1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is YPYRBICQXDZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18(14-6-4-3-5-7-14)16(19)12-20-15-10-8-13(17)9-11-15/h6,8-11H,2-5,7,12,17H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 61036345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).