3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide

C13H26N2O2 — CID 64850554

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide
SMILESCCOC1CC(NCCC(=O)N(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-11-9-10(13(11,2)3)14-8-7-12(16)15(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyYSQQGCWQZAAPDC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide (PubChem CID 64850554) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide
PubChem CID64850554
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide
SMILESCCOC1CC(NCCC(=O)N(C)C)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-11-9-10(13(11,2)3)14-8-7-12(16)15(4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyYSQQGCWQZAAPDC-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide (CID 64850554) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide is CCOC1CC(NCCC(=O)N(C)C)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide?
The InChIKey is YSQQGCWQZAAPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-17-11-9-10(13(11,2)3)14-8-7-12(16)15(4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 64850554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).