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

C13H27NO3 — CID 164574576

IUPAC4-(3-methyl-3-propoxybutoxy)pentanamide
SMILESCCCOC(C)(C)CCOC(C)CCC(N)=O
InChIInChI=1S/C13H27NO3/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyKIUZTRDIYGMCSF-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.25
Rot. Bonds10

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

4-(3-methyl-3-propoxybutoxy)pentanamide (PubChem CID 164574576) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-(3-methyl-3-propoxybutoxy)pentanamide.

Molecular Properties

Compound Name4-(3-methyl-3-propoxybutoxy)pentanamide
PubChem CID164574576
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-(3-methyl-3-propoxybutoxy)pentanamide
SMILESCCCOC(C)(C)CCOC(C)CCC(N)=O
InChIInChI=1S/C13H27NO3/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15/h11H,5-10H2,1-4H3,(H2,14,15)
InChIKeyKIUZTRDIYGMCSF-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methyl-3-propoxybutoxy)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-3-propoxybutoxy)pentanamide?
The IUPAC name of 4-(3-methyl-3-propoxybutoxy)pentanamide (CID 164574576) is 4-(3-methyl-3-propoxybutoxy)pentanamide.
What is the SMILES notation for 4-(3-methyl-3-propoxybutoxy)pentanamide?
The canonical SMILES for 4-(3-methyl-3-propoxybutoxy)pentanamide is CCCOC(C)(C)CCOC(C)CCC(N)=O.
What is the InChIKey of 4-(3-methyl-3-propoxybutoxy)pentanamide?
The InChIKey is KIUZTRDIYGMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-9-17-13(3,4)8-10-16-11(2)6-7-12(14)15/h11H,5-10H2,1-4H3,(H2,14,15).
What are the key properties of 4-(3-methyl-3-propoxybutoxy)pentanamide?
4-(3-methyl-3-propoxybutoxy)pentanamide has a molecular weight of 245.36 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-3-propoxybutoxy)pentanamide is sourced from PubChem (CID 164574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).