4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide

C16H33NO2 — CID 178168451

IUPAC4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCCCC(C)(C)COCC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C16H33NO2/c1-8-9-15(4,5)11-19-12-16(6,7)10-14(18)17-13(2)3/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyAWDYIFFOQSUDID-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.77
Rot. Bonds9

About 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide

4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide (PubChem CID 178168451) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
PubChem CID178168451
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
SMILESCCCC(C)(C)COCC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C16H33NO2/c1-8-9-15(4,5)11-19-12-16(6,7)10-14(18)17-13(2)3/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyAWDYIFFOQSUDID-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide (CID 178168451) is 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide is CCCC(C)(C)COCC(C)(C)CC(=O)NC(C)C.
What is the InChIKey of 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is AWDYIFFOQSUDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-8-9-15(4,5)11-19-12-16(6,7)10-14(18)17-13(2)3/h13H,8-12H2,1-7H3,(H,17,18).
What are the key properties of 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide?
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 271.44 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 178168451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).