3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide

C13H26N2O2 — CID 2931090

IUPAC3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide
SMILESCC(C)CC(=O)NCC(C)NC(=O)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-12(16)14-8-11(5)15-13(17)7-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyVFAKRNCNPQGADN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.70
Rot. Bonds7

About 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide

3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide (PubChem CID 2931090) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide
PubChem CID2931090
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide
SMILESCC(C)CC(=O)NCC(C)NC(=O)CC(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)6-12(16)14-8-11(5)15-13(17)7-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyVFAKRNCNPQGADN-UHFFFAOYSA-N
XLogP1.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide (CID 2931090) is 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide is CC(C)CC(=O)NCC(C)NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide?
The InChIKey is VFAKRNCNPQGADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)6-12(16)14-8-11(5)15-13(17)7-10(3)4/h9-11H,6-8H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide?
3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutanoylamino)propyl]butanamide is sourced from PubChem (CID 2931090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).