2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide

C18H32N2O4 — CID 522509

IUPAC2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)
InChIKeyOAFTUJVCHZBHJF-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.72
Rot. Bonds9

About 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide

2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide (PubChem CID 522509) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide
PubChem CID522509
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)
InChIKeyOAFTUJVCHZBHJF-UHFFFAOYSA-N
XLogP1.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide?
The IUPAC name of 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide (CID 522509) is 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide?
The canonical SMILES for 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide is CC(C)C(=O)C(C)(C)C(=O)NCCNC(=O)C(C)(C)C(=O)C(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide?
The InChIKey is OAFTUJVCHZBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-11(2)13(21)17(5,6)15(23)19-9-10-20-16(24)18(7,8)14(22)12(3)4/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24).
What are the key properties of 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide?
2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide has a molecular weight of 340.46 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-oxo-N-[2-[(2,2,4-trimethyl-3-oxopentanoyl)amino]ethyl]pentanamide is sourced from PubChem (CID 522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).