2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide

C17H34N2O2 — CID 88566178

IUPAC2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C17H34N2O2/c1-6-14(3)15(20)18-12-10-8-9-11-13-19-16(21)17(4,5)7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyOIXBEYDDVRRUEO-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.26
Rot. Bonds11

About 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide

2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide (PubChem CID 88566178) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide
PubChem CID88566178
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide
SMILESCCC(C)C(=O)NCCCCCCNC(=O)C(C)(C)CC
InChIInChI=1S/C17H34N2O2/c1-6-14(3)15(20)18-12-10-8-9-11-13-19-16(21)17(4,5)7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyOIXBEYDDVRRUEO-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide (CID 88566178) is 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide is CCC(C)C(=O)NCCCCCCNC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide?
The InChIKey is OIXBEYDDVRRUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-14(3)15(20)18-12-10-8-9-11-13-19-16(21)17(4,5)7-2/h14H,6-13H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide?
2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-(2-methylbutanoylamino)hexyl]butanamide is sourced from PubChem (CID 88566178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).