N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide

C12H24N2O2 — CID 115652663

IUPACN-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
SMILESCOCCNC(=O)CCNC1CCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-10-3-4-11(9-10)13-6-5-12(15)14-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUXXLJUBOVQOHGO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide

N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide (PubChem CID 115652663) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
PubChem CID115652663
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
SMILESCOCCNC(=O)CCNC1CCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-10-3-4-11(9-10)13-6-5-12(15)14-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyUXXLJUBOVQOHGO-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide (CID 115652663) is N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide is COCCNC(=O)CCNC1CCC(C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide?
The InChIKey is UXXLJUBOVQOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-3-4-11(9-10)13-6-5-12(15)14-7-8-16-2/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide?
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide is sourced from PubChem (CID 115652663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).