N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide

C14H27NO2 — CID 118494464

IUPACN-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide
SMILESCCC(=O)CC(C)CC(=O)NCC(C)C(C)C
InChIInChI=1S/C14H27NO2/c1-6-13(16)7-11(4)8-14(17)15-9-12(5)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,17)
InChIKeyPVIPJFHFOKUHRK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.79
Rot. Bonds8

About N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide

N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide (PubChem CID 118494464) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide
PubChem CID118494464
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide
SMILESCCC(=O)CC(C)CC(=O)NCC(C)C(C)C
InChIInChI=1S/C14H27NO2/c1-6-13(16)7-11(4)8-14(17)15-9-12(5)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,17)
InChIKeyPVIPJFHFOKUHRK-UHFFFAOYSA-N
XLogP2.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide?
The IUPAC name of N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide (CID 118494464) is N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide is CCC(=O)CC(C)CC(=O)NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide?
The InChIKey is PVIPJFHFOKUHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-13(16)7-11(4)8-14(17)15-9-12(5)10(2)3/h10-12H,6-9H2,1-5H3,(H,15,17).
What are the key properties of N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide?
N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide has a molecular weight of 241.37 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide is sourced from PubChem (CID 118494464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).