N-(3-methylbutyl)-2-propylpentanamide

C13H27NO — CID 3032198

IUPACN-(3-methylbutyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(C)C
InChIInChI=1S/C13H27NO/c1-5-7-12(8-6-2)13(15)14-10-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyZQAJQSIROFNICU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.37
Rot. Bonds8

About N-(3-methylbutyl)-2-propylpentanamide

N-(3-methylbutyl)-2-propylpentanamide (PubChem CID 3032198) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-propylpentanamide
PubChem CID3032198
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-methylbutyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(C)C
InChIInChI=1S/C13H27NO/c1-5-7-12(8-6-2)13(15)14-10-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15)
InChIKeyZQAJQSIROFNICU-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-propylpentanamide?
The IUPAC name of N-(3-methylbutyl)-2-propylpentanamide (CID 3032198) is N-(3-methylbutyl)-2-propylpentanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-propylpentanamide?
The canonical SMILES for N-(3-methylbutyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-propylpentanamide?
The InChIKey is ZQAJQSIROFNICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-12(8-6-2)13(15)14-10-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methylbutyl)-2-propylpentanamide?
N-(3-methylbutyl)-2-propylpentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-propylpentanamide is sourced from PubChem (CID 3032198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).