3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione

C19H36N2O4 — CID 167448038

IUPAC3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione
SMILESCC(C)CCOC(C)(C)CC(=O)NCC(C)C.CC1CC(=O)NC1=O
InChIInChI=1S/C14H29NO2.C5H7NO2/c1-11(2)7-8-17-14(5,6)9-13(16)15-10-12(3)4;1-3-2-4(7)6-5(3)8/h11-12H,7-10H2,1-6H3,(H,15,16);3H,2H2,1H3,(H,6,7,8)
InChIKeyMSKGADHWUALCLQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.66
Rot. Bonds8

About 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione

3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione (PubChem CID 167448038) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione
PubChem CID167448038
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione
SMILESCC(C)CCOC(C)(C)CC(=O)NCC(C)C.CC1CC(=O)NC1=O
InChIInChI=1S/C14H29NO2.C5H7NO2/c1-11(2)7-8-17-14(5,6)9-13(16)15-10-12(3)4;1-3-2-4(7)6-5(3)8/h11-12H,7-10H2,1-6H3,(H,15,16);3H,2H2,1H3,(H,6,7,8)
InChIKeyMSKGADHWUALCLQ-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione (CID 167448038) is 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione is CC(C)CCOC(C)(C)CC(=O)NCC(C)C.CC1CC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione?
The InChIKey is MSKGADHWUALCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C5H7NO2/c1-11(2)7-8-17-14(5,6)9-13(16)15-10-12(3)4;1-3-2-4(7)6-5(3)8/h11-12H,7-10H2,1-6H3,(H,15,16);3H,2H2,1H3,(H,6,7,8).
What are the key properties of 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione?
3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione has a molecular weight of 356.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylbutoxy)-N-(2-methylpropyl)butanamide;3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 167448038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).