N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide

C13H25NO3 — CID 58589795

IUPACN-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide
SMILESCOCCOCCC(=O)NCC1CCCCC1
InChIInChI=1S/C13H25NO3/c1-16-9-10-17-8-7-13(15)14-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyGSXDZMRMIRUFDZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.74
Rot. Bonds8

About N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide

N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide (PubChem CID 58589795) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide
PubChem CID58589795
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide
SMILESCOCCOCCC(=O)NCC1CCCCC1
InChIInChI=1S/C13H25NO3/c1-16-9-10-17-8-7-13(15)14-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyGSXDZMRMIRUFDZ-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide (CID 58589795) is N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide is COCCOCCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide?
The InChIKey is GSXDZMRMIRUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-16-9-10-17-8-7-13(15)14-11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide?
N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 58589795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).