1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide

C12H24N2O3 — CID 79648428

IUPAC1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide
SMILESCCCCOCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C12H24N2O3/c1-2-3-6-16-7-8-17-10-4-5-12(14,9-10)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyRKCXREWVZCGGKU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.56
Rot. Bonds8

About 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide

1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide (PubChem CID 79648428) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide
PubChem CID79648428
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide
SMILESCCCCOCCOC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C12H24N2O3/c1-2-3-6-16-7-8-17-10-4-5-12(14,9-10)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15)
InChIKeyRKCXREWVZCGGKU-UHFFFAOYSA-N
XLogP0.56
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.56
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 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide (CID 79648428) is 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide is CCCCOCCOC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide?
The InChIKey is RKCXREWVZCGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-3-6-16-7-8-17-10-4-5-12(14,9-10)11(13)15/h10H,2-9,14H2,1H3,(H2,13,15).
What are the key properties of 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide?
1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-butoxyethoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).