2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide

C12H23NO2 — CID 91448158

IUPAC2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(14)7-13-10(15)12(5,6)8-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
InChIKeyRZCBLODCQVBBNH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.15
Rot. Bonds4

About 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide

2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide (PubChem CID 91448158) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide
PubChem CID91448158
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(14)7-13-10(15)12(5,6)8-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
InChIKeyRZCBLODCQVBBNH-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide (CID 91448158) is 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide is CC(=O)CNC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide?
The InChIKey is RZCBLODCQVBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(14)7-13-10(15)12(5,6)8-11(2,3)4/h7-8H2,1-6H3,(H,13,15).
What are the key properties of 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide?
2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide has a molecular weight of 213.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-(2-oxopropyl)pentanamide is sourced from PubChem (CID 91448158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).