2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide

C17H26N2O2 — CID 61028307

IUPAC2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3
InChIKeyNIOXFSNJZCYPTJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide

2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 61028307) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID61028307
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3
InChIKeyNIOXFSNJZCYPTJ-UHFFFAOYSA-N
XLogP3.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
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

2-[(E)-(1-amino-2-phenoxyethylidene)amino]oxy-N-cyclohexyl-N-propan-2-ylacetamide
CID 60523504
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
2-O-[2-[cyclohexyl(propan-2-yl)amino]-2-oxoethyl] 5-O-methyl pyrazine-2,5-dicarboxylate
CID 166205810
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
ethyl 2-[3-amino-4-[cyclohexyl(propan-2-yl)amino]phenoxy]acetate
CID 166450745
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61489511
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide (CID 61028307) is 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is NIOXFSNJZCYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)19(15-6-4-3-5-7-15)17(20)12-21-16-10-8-14(18)9-11-16/h8-11,13,15H,3-7,12,18H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide?
2-(4-aminophenoxy)-N-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 3.22, 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-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61028307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).