2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide

C19H38N2O2 — CID 123784721

IUPAC2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-16(2,3)12-18(7,8)15(23)20-11-14(22)21-19(9,10)13-17(4,5)6/h11-13H2,1-10H3,(H,20,23)(H,21,22)
InChIKeyFXZOTFADCQCNFT-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.90
Rot. Bonds6

About 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide

2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide (PubChem CID 123784721) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide
PubChem CID123784721
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CNC(=O)C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-16(2,3)12-18(7,8)15(23)20-11-14(22)21-19(9,10)13-17(4,5)6/h11-13H2,1-10H3,(H,20,23)(H,21,22)
InChIKeyFXZOTFADCQCNFT-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide?
The IUPAC name of 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide (CID 123784721) is 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide is CC(C)(C)CC(C)(C)NC(=O)CNC(=O)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide?
The InChIKey is FXZOTFADCQCNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-16(2,3)12-18(7,8)15(23)20-11-14(22)21-19(9,10)13-17(4,5)6/h11-13H2,1-10H3,(H,20,23)(H,21,22).
What are the key properties of 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide?
2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide has a molecular weight of 326.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 123784721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).