N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide

C16H33NO — CID 167057684

IUPACN-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide
SMILESCCC(C)(C)CCNC(=O)C(C)C(C)(CC)CC
InChIInChI=1S/C16H33NO/c1-8-15(5,6)11-12-17-14(18)13(4)16(7,9-2)10-3/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyHSPQJHTUVJVBLA-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.39
Rot. Bonds8

About N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide

N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide (PubChem CID 167057684) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide
PubChem CID167057684
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide
SMILESCCC(C)(C)CCNC(=O)C(C)C(C)(CC)CC
InChIInChI=1S/C16H33NO/c1-8-15(5,6)11-12-17-14(18)13(4)16(7,9-2)10-3/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyHSPQJHTUVJVBLA-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide?
The IUPAC name of N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide (CID 167057684) is N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide.
What is the SMILES notation for N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide?
The canonical SMILES for N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide is CCC(C)(C)CCNC(=O)C(C)C(C)(CC)CC.
What is the InChIKey of N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide?
The InChIKey is HSPQJHTUVJVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-15(5,6)11-12-17-14(18)13(4)16(7,9-2)10-3/h13H,8-12H2,1-7H3,(H,17,18).
What are the key properties of N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide?
N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide has a molecular weight of 255.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpentyl)-3-ethyl-2,3-dimethylpentanamide is sourced from PubChem (CID 167057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).