N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide

C13H26N2O2 — CID 79711177

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-8-7-9(16)15-11-12(2,3)10(14)13(11,4)5/h10-11H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyQURBRNOGKVNZIE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide (PubChem CID 79711177) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide
PubChem CID79711177
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-8-7-9(16)15-11-12(2,3)10(14)13(11,4)5/h10-11H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyQURBRNOGKVNZIE-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
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-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide (CID 79711177) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide is CCOCCC(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide?
The InChIKey is QURBRNOGKVNZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-17-8-7-9(16)15-11-12(2,3)10(14)13(11,4)5/h10-11H,6-8,14H2,1-5H3,(H,15,16).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide is sourced from PubChem (CID 79711177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).