2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide

C14H28N2O2 — CID 54957148

IUPAC2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyQGSFAQNBUGSFKT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds9

About 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide

2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 54957148) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
PubChem CID54957148
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyQGSFAQNBUGSFKT-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
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

N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
N-(2-cyclopentylethyl)-3-methoxypropan-1-amine
CID 54856807
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
2-(2-cyclopentylethylamino)-N-methylacetamide
CID 60919375
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide (CID 54957148) is 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is QGSFAQNBUGSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide?
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54957148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).