3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide

C18H32N2O4 — CID 174254450

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
SMILESCCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C18H32N2O4/c1-6-10-18(4,5)24-13-11-17(2,3)19-14(21)9-12-20-15(22)7-8-16(20)23/h6-13H2,1-5H3,(H,19,21)
InChIKeyOEYWTPWWQWWGHA-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.41
Rot. Bonds10

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide (PubChem CID 174254450) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
PubChem CID174254450
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
SMILESCCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C18H32N2O4/c1-6-10-18(4,5)24-13-11-17(2,3)19-14(21)9-12-20-15(22)7-8-16(20)23/h6-13H2,1-5H3,(H,19,21)
InChIKeyOEYWTPWWQWWGHA-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
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-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide (CID 174254450) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide is CCCC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide?
The InChIKey is OEYWTPWWQWWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-6-10-18(4,5)24-13-11-17(2,3)19-14(21)9-12-20-15(22)7-8-16(20)23/h6-13H2,1-5H3,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide has a molecular weight of 340.46 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide is sourced from PubChem (CID 174254450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).