3-methyl-3-(pentanoylamino)butanamide

C10H20N2O2 — CID 23563358

IUPAC3-methyl-3-(pentanoylamino)butanamide
SMILESCCCCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O2/c1-4-5-6-9(14)12-10(2,3)7-8(11)13/h4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyUYWXKMGVPLULAO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds6

About 3-methyl-3-(pentanoylamino)butanamide

3-methyl-3-(pentanoylamino)butanamide (PubChem CID 23563358) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-methyl-3-(pentanoylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(pentanoylamino)butanamide
PubChem CID23563358
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-methyl-3-(pentanoylamino)butanamide
SMILESCCCCC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H20N2O2/c1-4-5-6-9(14)12-10(2,3)7-8(11)13/h4-7H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyUYWXKMGVPLULAO-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(pentanoylamino)butanamide?
The IUPAC name of 3-methyl-3-(pentanoylamino)butanamide (CID 23563358) is 3-methyl-3-(pentanoylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(pentanoylamino)butanamide?
The canonical SMILES for 3-methyl-3-(pentanoylamino)butanamide is CCCCC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(pentanoylamino)butanamide?
The InChIKey is UYWXKMGVPLULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-6-9(14)12-10(2,3)7-8(11)13/h4-7H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of 3-methyl-3-(pentanoylamino)butanamide?
3-methyl-3-(pentanoylamino)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(pentanoylamino)butanamide is sourced from PubChem (CID 23563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).