2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

C17H35NO — CID 89201402

IUPAC2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6/h11-12H2,1-10H3,(H,18,19)
InChIKeyYVMNGJKFRCGZQX-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.78
Rot. Bonds4

About 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide

2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (PubChem CID 89201402) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
PubChem CID89201402
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H35NO/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6/h11-12H2,1-10H3,(H,18,19)
InChIKeyYVMNGJKFRCGZQX-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide (CID 89201402) is 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is CC(C)(C)CC(C)(C)NC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
The InChIKey is YVMNGJKFRCGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-14(2,3)11-16(7,8)13(19)18-17(9,10)12-15(4,5)6/h11-12H2,1-10H3,(H,18,19).
What are the key properties of 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide?
2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide has a molecular weight of 269.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide is sourced from PubChem (CID 89201402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).