ethane;4-(3-methyl-3-propoxybutoxy)pentanamide

C15H33NO3 — CID 164574575

IUPACethane;4-(3-methyl-3-propoxybutoxy)pentanamide
SMILESCC.CCCOC(C)(C)CCOC(C)CCC(N)=O
InChIInChI=1S/C13H27NO3.C2H6/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15;1-2/h11H,5-10H2,1-4H3,(H2,14,15);1-2H3
InChIKeyZHVVEEQVWABFBR-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.28
Rot. Bonds10

About ethane;4-(3-methyl-3-propoxybutoxy)pentanamide

ethane;4-(3-methyl-3-propoxybutoxy)pentanamide (PubChem CID 164574575) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is ethane;4-(3-methyl-3-propoxybutoxy)pentanamide.

Molecular Properties

Compound Nameethane;4-(3-methyl-3-propoxybutoxy)pentanamide
PubChem CID164574575
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Nameethane;4-(3-methyl-3-propoxybutoxy)pentanamide
SMILESCC.CCCOC(C)(C)CCOC(C)CCC(N)=O
InChIInChI=1S/C13H27NO3.C2H6/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15;1-2/h11H,5-10H2,1-4H3,(H2,14,15);1-2H3
InChIKeyZHVVEEQVWABFBR-UHFFFAOYSA-N
XLogP3.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methyl-3-propoxybutoxy)pentanamide?
The IUPAC name of ethane;4-(3-methyl-3-propoxybutoxy)pentanamide (CID 164574575) is ethane;4-(3-methyl-3-propoxybutoxy)pentanamide.
What is the SMILES notation for ethane;4-(3-methyl-3-propoxybutoxy)pentanamide?
The canonical SMILES for ethane;4-(3-methyl-3-propoxybutoxy)pentanamide is CC.CCCOC(C)(C)CCOC(C)CCC(N)=O.
What is the InChIKey of ethane;4-(3-methyl-3-propoxybutoxy)pentanamide?
The InChIKey is ZHVVEEQVWABFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.C2H6/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15;1-2/h11H,5-10H2,1-4H3,(H2,14,15);1-2H3.
What are the key properties of ethane;4-(3-methyl-3-propoxybutoxy)pentanamide?
ethane;4-(3-methyl-3-propoxybutoxy)pentanamide has a molecular weight of 275.43 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methyl-3-propoxybutoxy)pentanamide is sourced from PubChem (CID 164574575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).