9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide

C19H34N2O3 — CID 139590720

IUPAC9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide
SMILESCC(C)CCCCCCCC(=O)N[C@@H]1CC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C19H34N2O3/c1-14(2)10-8-6-5-7-9-11-17(22)20-16-12-18(23)21(19(16)24)13-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyYKUQKHYXHKQRBF-MRXNPFEDSA-N
MW338.49 g/mol
LogP3.27
Rot. Bonds11

About 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide

9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide (PubChem CID 139590720) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide.

Molecular Properties

Compound Name9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide
PubChem CID139590720
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide
SMILESCC(C)CCCCCCCC(=O)N[C@@H]1CC(=O)N(CC(C)C)C1=O
InChIInChI=1S/C19H34N2O3/c1-14(2)10-8-6-5-7-9-11-17(22)20-16-12-18(23)21(19(16)24)13-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)/t16-/m1/s1
InChIKeyYKUQKHYXHKQRBF-MRXNPFEDSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide?
The IUPAC name of 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide (CID 139590720) is 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide.
What is the SMILES notation for 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide?
The canonical SMILES for 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide is CC(C)CCCCCCCC(=O)N[C@@H]1CC(=O)N(CC(C)C)C1=O.
What is the InChIKey of 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide?
The InChIKey is YKUQKHYXHKQRBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-14(2)10-8-6-5-7-9-11-17(22)20-16-12-18(23)21(19(16)24)13-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide?
9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide has a molecular weight of 338.49 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(3R)-1-(2-methylpropyl)-2,5-dioxopyrrolidin-3-yl]decanamide is sourced from PubChem (CID 139590720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).