2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide

C16H28N2O3 — CID 58313473

IUPAC2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CCCC1CC(=O)N(CC(=O)NCC(C)C)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)6-5-7-13-8-15(20)18(16(13)21)10-14(19)17-9-12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyQVKGQCKMOXMFAA-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds8

About 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide

2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 58313473) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID58313473
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CCCC1CC(=O)N(CC(=O)NCC(C)C)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)6-5-7-13-8-15(20)18(16(13)21)10-14(19)17-9-12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyQVKGQCKMOXMFAA-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[(2S)-3-cyclohexyl-2-[(3R)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoyl]amino]-N-hydroxyhexanamide
CID 44330513
2-(4-Butyl-2-oxopyrrolidin-1-yl)butanamide
CID 9855989
2-(2-Oxo-4-pentylpyrrolidin-1-yl)butanamide
CID 9856179
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126
Proline scaffold, 30
CID 42618127
Proline scaffold, 33
CID 42618130
N-hydroxy-6-[[2-[(3R)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]acetyl]amino]hexanamide
CID 44330590
2-[(3R,15S)-2,14-dioxo-1,13-diazabicyclo[13.3.0]octadecan-3-yl]-N-hydroxyacetamide
CID 44449667
3-Dodecylpyrrolidin-2-one
CID 21881336
Bacillamidin C
CID 139590719

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide (CID 58313473) is 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CCCC1CC(=O)N(CC(=O)NCC(C)C)C1=O.
What is the InChIKey of 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is QVKGQCKMOXMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)6-5-7-13-8-15(20)18(16(13)21)10-14(19)17-9-12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpentyl)-2,5-dioxopyrrolidin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 58313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).