2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide

C15H30N2O2 — CID 83032657

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-9-16-14(18)12(4)17-13-8-10-19-15(6-2,7-3)11-13/h12-13,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyZTYPULSLNPPLFI-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.23
Rot. Bonds7

About 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide

2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide (PubChem CID 83032657) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
PubChem CID83032657
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-9-16-14(18)12(4)17-13-8-10-19-15(6-2,7-3)11-13/h12-13,17H,5-11H2,1-4H3,(H,16,18)
InChIKeyZTYPULSLNPPLFI-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide (CID 83032657) is 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CCOC(CC)(CC)C1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide?
The InChIKey is ZTYPULSLNPPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-16-14(18)12(4)17-13-8-10-19-15(6-2,7-3)11-13/h12-13,17H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide?
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 83032657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).