2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide

C12H24N2O3 — CID 65050484

IUPAC2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCCC1
InChIInChI=1S/C12H24N2O3/c1-10(11(15)14-7-8-16-2)17-12(9-13)5-3-4-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyYDTGJWWESFKUNC-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds7

About 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide

2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide (PubChem CID 65050484) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide
PubChem CID65050484
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCCC1
InChIInChI=1S/C12H24N2O3/c1-10(11(15)14-7-8-16-2)17-12(9-13)5-3-4-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyYDTGJWWESFKUNC-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide (CID 65050484) is 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)OC1(CN)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide?
The InChIKey is YDTGJWWESFKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(11(15)14-7-8-16-2)17-12(9-13)5-3-4-6-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide?
2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]oxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65050484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).