N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide

C13H25NO2 — CID 107941727

IUPACN-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1CCC(CC)C1C
InChIInChI=1S/C13H25NO2/c1-4-8-16-9-13(15)14-12-7-6-11(5-2)10(12)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyZEXXVPFHJCBTJP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds6

About N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide

N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide (PubChem CID 107941727) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
PubChem CID107941727
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NC1CCC(CC)C1C
InChIInChI=1S/C13H25NO2/c1-4-8-16-9-13(15)14-12-7-6-11(5-2)10(12)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyZEXXVPFHJCBTJP-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide (CID 107941727) is N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide is CCCOCC(=O)NC1CCC(CC)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide?
The InChIKey is ZEXXVPFHJCBTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-8-16-9-13(15)14-12-7-6-11(5-2)10(12)3/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide?
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide is sourced from PubChem (CID 107941727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).