N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide

C13H23NO2 — CID 56793921

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide
SMILESCCOC1CC(NC(=O)C2CCC2)C1(C)C
InChIInChI=1S/C13H23NO2/c1-4-16-11-8-10(13(11,2)3)14-12(15)9-6-5-7-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyFMXVPPBHMPIQLY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide (PubChem CID 56793921) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide
PubChem CID56793921
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide
SMILESCCOC1CC(NC(=O)C2CCC2)C1(C)C
InChIInChI=1S/C13H23NO2/c1-4-16-11-8-10(13(11,2)3)14-12(15)9-6-5-7-9/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyFMXVPPBHMPIQLY-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide (CID 56793921) is N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide is CCOC1CC(NC(=O)C2CCC2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide?
The InChIKey is FMXVPPBHMPIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-16-11-8-10(13(11,2)3)14-12(15)9-6-5-7-9/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclobutanecarboxamide is sourced from PubChem (CID 56793921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).