2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide

C17H26N2O2 — CID 104678055

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
SMILESNCC1(CC(=O)NCCOc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)13-16(20)19-11-12-21-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,19,20)
InChIKeyGSNCSVPPKJYLSX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide (PubChem CID 104678055) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
PubChem CID104678055
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
SMILESNCC1(CC(=O)NCCOc2ccccc2)CCCCC1
InChIInChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)13-16(20)19-11-12-21-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,19,20)
InChIKeyGSNCSVPPKJYLSX-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
phenyl N-[[1-(aminomethyl)cyclopentyl]methyl]carbamate
CID 113295201
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538742
[1-amino-3-oxo-3-(2-phenoxyethylamino)propylidene]-hydroxyazanium
CID 2230159
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 106260828
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
3,4-diamino-N-(2-phenoxyethyl)butanamide
CID 87732919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide (CID 104678055) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide is NCC1(CC(=O)NCCOc2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is GSNCSVPPKJYLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-14-17(9-5-2-6-10-17)13-16(20)19-11-12-21-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 104678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).