2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide

C17H26N2O2 — CID 63325796

IUPAC2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1ccc(OCC(=O)NC2CCCCC2)c(CCN)c1
InChIInChI=1S/C17H26N2O2/c1-13-7-8-16(14(11-13)9-10-18)21-12-17(20)19-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12,18H2,1H3,(H,19,20)
InChIKeyILERDPGQKIPXNB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide

2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide (PubChem CID 63325796) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
PubChem CID63325796
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
SMILESCc1ccc(OCC(=O)NC2CCCCC2)c(CCN)c1
InChIInChI=1S/C17H26N2O2/c1-13-7-8-16(14(11-13)9-10-18)21-12-17(20)19-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12,18H2,1H3,(H,19,20)
InChIKeyILERDPGQKIPXNB-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
CID 55203033
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326986
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide (CID 63325796) is 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide is Cc1ccc(OCC(=O)NC2CCCCC2)c(CCN)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide?
The InChIKey is ILERDPGQKIPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-8-16(14(11-13)9-10-18)21-12-17(20)19-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide?
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 63325796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).