N-[2-methyl-2-(propanoylamino)butyl]propanamide

C11H22N2O2 — CID 71922860

IUPACN-[2-methyl-2-(propanoylamino)butyl]propanamide
SMILESCCC(=O)NCC(C)(CC)NC(=O)CC
InChIInChI=1S/C11H22N2O2/c1-5-9(14)12-8-11(4,7-3)13-10(15)6-2/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyLZYQBTWKIXSWEI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds6

About N-[2-methyl-2-(propanoylamino)butyl]propanamide

N-[2-methyl-2-(propanoylamino)butyl]propanamide (PubChem CID 71922860) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-methyl-2-(propanoylamino)butyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-2-(propanoylamino)butyl]propanamide
PubChem CID71922860
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-methyl-2-(propanoylamino)butyl]propanamide
SMILESCCC(=O)NCC(C)(CC)NC(=O)CC
InChIInChI=1S/C11H22N2O2/c1-5-9(14)12-8-11(4,7-3)13-10(15)6-2/h5-8H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyLZYQBTWKIXSWEI-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(propanoylamino)butyl]propanamide?
The IUPAC name of N-[2-methyl-2-(propanoylamino)butyl]propanamide (CID 71922860) is N-[2-methyl-2-(propanoylamino)butyl]propanamide.
What is the SMILES notation for N-[2-methyl-2-(propanoylamino)butyl]propanamide?
The canonical SMILES for N-[2-methyl-2-(propanoylamino)butyl]propanamide is CCC(=O)NCC(C)(CC)NC(=O)CC.
What is the InChIKey of N-[2-methyl-2-(propanoylamino)butyl]propanamide?
The InChIKey is LZYQBTWKIXSWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-9(14)12-8-11(4,7-3)13-10(15)6-2/h5-8H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-methyl-2-(propanoylamino)butyl]propanamide?
N-[2-methyl-2-(propanoylamino)butyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(propanoylamino)butyl]propanamide is sourced from PubChem (CID 71922860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).