N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide

C16H32N2O2 — CID 4070775

IUPACN-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-15(2,3)11-13(19)17-9-7-8-10-18-14(20)12-16(4,5)6/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyYMUVMGKAFBOMOW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds7

About N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide

N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide (PubChem CID 4070775) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide
PubChem CID4070775
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-15(2,3)11-13(19)17-9-7-8-10-18-14(20)12-16(4,5)6/h7-12H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyYMUVMGKAFBOMOW-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide (CID 4070775) is N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide?
The InChIKey is YMUVMGKAFBOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2,3)11-13(19)17-9-7-8-10-18-14(20)12-16(4,5)6/h7-12H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide?
N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylbutanoylamino)butyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 4070775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).