3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide

C15H28N2O2 — CID 64863705

IUPAC3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-17(6-2)12(18)7-9-16-13-11-8-10-19-14(11)15(13,3)4/h11,13-14,16H,5-10H2,1-4H3
InChIKeyZPHBWALCPLAHFD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds6

About 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide

3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide (PubChem CID 64863705) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
PubChem CID64863705
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-17(6-2)12(18)7-9-16-13-11-8-10-19-14(11)15(13,3)4/h11,13-14,16H,5-10H2,1-4H3
InChIKeyZPHBWALCPLAHFD-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide (CID 64863705) is 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC1C2CCOC2C1(C)C.
What is the InChIKey of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide?
The InChIKey is ZPHBWALCPLAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-17(6-2)12(18)7-9-16-13-11-8-10-19-14(11)15(13,3)4/h11,13-14,16H,5-10H2,1-4H3.
What are the key properties of 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide?
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide has a molecular weight of 268.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 64863705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).