2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide

C17H34N2O2 — CID 64723978

IUPAC2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C17H34N2O2/c1-8-19(9-2)16(20)13(5)18-14-10-15(17(14,6)7)21-11-12(3)4/h12-15,18H,8-11H2,1-7H3
InChIKeyTURGNLBFEMNMMX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.67
Rot. Bonds8

About 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide

2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide (PubChem CID 64723978) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide
PubChem CID64723978
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NC1CC(OCC(C)C)C1(C)C
InChIInChI=1S/C17H34N2O2/c1-8-19(9-2)16(20)13(5)18-14-10-15(17(14,6)7)21-11-12(3)4/h12-15,18H,8-11H2,1-7H3
InChIKeyTURGNLBFEMNMMX-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide (CID 64723978) is 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NC1CC(OCC(C)C)C1(C)C.
What is the InChIKey of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide?
The InChIKey is TURGNLBFEMNMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-8-19(9-2)16(20)13(5)18-14-10-15(17(14,6)7)21-11-12(3)4/h12-15,18H,8-11H2,1-7H3.
What are the key properties of 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide?
2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide has a molecular weight of 298.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 64723978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).