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

C14H28N2O2 — CID 64851156

IUPAC3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CC(OCC)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-8-16-13(17)7-9-15-11-10-12(18-6-2)14(11,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyVTXOGLLKHMCONO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds8

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

3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide (PubChem CID 64851156) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide
PubChem CID64851156
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CC(OCC)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-5-8-16-13(17)7-9-15-11-10-12(18-6-2)14(11,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyVTXOGLLKHMCONO-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
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-propylpropanamide?
The IUPAC name of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide (CID 64851156) is 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide is CCCNC(=O)CCNC1CC(OCC)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide?
The InChIKey is VTXOGLLKHMCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-8-16-13(17)7-9-15-11-10-12(18-6-2)14(11,3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide?
3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-propylpropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 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-propylpropanamide is sourced from PubChem (CID 64851156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).