2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

C17H22N2O2 — CID 61036231

IUPAC2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESNc1cccc(OCC(=O)N(C2=CCCCC2)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c18-13-5-4-8-16(11-13)21-12-17(20)19(15-9-10-15)14-6-2-1-3-7-14/h4-6,8,11,15H,1-3,7,9-10,12,18H2
InChIKeyJMSZASMTCVLKEA-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.10
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide

2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (PubChem CID 61036231) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
PubChem CID61036231
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
SMILESNc1cccc(OCC(=O)N(C2=CCCCC2)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c18-13-5-4-8-16(11-13)21-12-17(20)19(15-9-10-15)14-6-2-1-3-7-14/h4-6,8,11,15H,1-3,7,9-10,12,18H2
InChIKeyJMSZASMTCVLKEA-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(ethylsulfamoyl)benzoate
CID 30974212
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
2-(4-aminophenoxy)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 61036345
2-[3-(aminomethyl)phenoxy]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 106485021
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
N-cyclopropyl-2-(3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723139
2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107209920
2-[3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398108
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide (CID 61036231) is 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is Nc1cccc(OCC(=O)N(C2=CCCCC2)C2CC2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
The InChIKey is JMSZASMTCVLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-13-5-4-8-16(11-13)21-12-17(20)19(15-9-10-15)14-6-2-1-3-7-14/h4-6,8,11,15H,1-3,7,9-10,12,18H2.
What are the key properties of 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide?
2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide has a molecular weight of 286.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(cyclohexen-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 61036231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).