2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide

C17H35N3O3 — CID 172602407

IUPAC2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide
SMILESCNC(=O)CN(C)OCCC(C)(C)NC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C17H35N3O3/c1-13(2)11-16(3,4)15(22)19-17(5,6)9-10-23-20(8)12-14(21)18-7/h13H,9-12H2,1-8H3,(H,18,21)(H,19,22)
InChIKeyLLPUKGXPZMNYBR-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.95
Rot. Bonds10

About 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide

2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide (PubChem CID 172602407) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide
PubChem CID172602407
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Name2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide
SMILESCNC(=O)CN(C)OCCC(C)(C)NC(=O)C(C)(C)CC(C)C
InChIInChI=1S/C17H35N3O3/c1-13(2)11-16(3,4)15(22)19-17(5,6)9-10-23-20(8)12-14(21)18-7/h13H,9-12H2,1-8H3,(H,18,21)(H,19,22)
InChIKeyLLPUKGXPZMNYBR-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide?
The IUPAC name of 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide (CID 172602407) is 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide?
The canonical SMILES for 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide is CNC(=O)CN(C)OCCC(C)(C)NC(=O)C(C)(C)CC(C)C.
What is the InChIKey of 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide?
The InChIKey is LLPUKGXPZMNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-13(2)11-16(3,4)15(22)19-17(5,6)9-10-23-20(8)12-14(21)18-7/h13H,9-12H2,1-8H3,(H,18,21)(H,19,22).
What are the key properties of 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide?
2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide has a molecular weight of 329.49 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]oxybutan-2-yl]pentanamide is sourced from PubChem (CID 172602407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).