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

C16H32N2O2 — CID 88562589

IUPAC2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide
SMILESCCC(C)(C)C(=O)NCCCCCCNC(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-6-16(4,5)15(20)18-12-10-8-7-9-11-17-14(19)13(2)3/h13H,6-12H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyRMJVZBLPLFHUBD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds10

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

2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide (PubChem CID 88562589) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide
PubChem CID88562589
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide
SMILESCCC(C)(C)C(=O)NCCCCCCNC(=O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-6-16(4,5)15(20)18-12-10-8-7-9-11-17-14(19)13(2)3/h13H,6-12H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyRMJVZBLPLFHUBD-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
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-methylpropanoylamino)hexyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide (CID 88562589) is 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide is CCC(C)(C)C(=O)NCCCCCCNC(=O)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide?
The InChIKey is RMJVZBLPLFHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-16(4,5)15(20)18-12-10-8-7-9-11-17-14(19)13(2)3/h13H,6-12H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide?
2,2-dimethyl-N-[6-(2-methylpropanoylamino)hexyl]butanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 10 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-methylpropanoylamino)hexyl]butanamide is sourced from PubChem (CID 88562589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).