2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

C15H22N2O2 — CID 28689734

IUPAC2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-11-3-2-4-13(9-11)17-15(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13H,2-4,9-10,16H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyBGEKZLLVWQIYRS-DGCLKSJQSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide

2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (PubChem CID 28689734) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
PubChem CID28689734
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-11-3-2-4-13(9-11)17-15(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13H,2-4,9-10,16H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyBGEKZLLVWQIYRS-DGCLKSJQSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
2-(4-aminophenoxy)-N-(2-methoxycyclopentyl)acetamide
CID 62087994
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
2-(4-aminophenyl)-2-methyl-N-(3-methylcyclohexyl)propanamide
CID 80555969

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide (CID 28689734) is 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
The InChIKey is BGEKZLLVWQIYRS-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-3-2-4-13(9-11)17-15(18)10-19-14-7-5-12(16)6-8-14/h5-8,11,13H,2-4,9-10,16H2,1H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide?
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 28689734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).