methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate

C13H22N2O4 — CID 59950824

IUPACmethyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate
SMILESCOC(=O)N(C)CCCC(C)C1(C)CC(=O)NC1=O
InChIInChI=1S/C13H22N2O4/c1-9(6-5-7-15(3)12(18)19-4)13(2)8-10(16)14-11(13)17/h9H,5-8H2,1-4H3,(H,14,16,17)
InChIKeyUHNWMTDQGDRLNL-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.15
Rot. Bonds5

About methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate

methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate (PubChem CID 59950824) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate
PubChem CID59950824
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate
SMILESCOC(=O)N(C)CCCC(C)C1(C)CC(=O)NC1=O
InChIInChI=1S/C13H22N2O4/c1-9(6-5-7-15(3)12(18)19-4)13(2)8-10(16)14-11(13)17/h9H,5-8H2,1-4H3,(H,14,16,17)
InChIKeyUHNWMTDQGDRLNL-UHFFFAOYSA-N
XLogP1.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(Ethylamino)pentyl]-3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 70832564
6-(3-Ethyl-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)hexanamide
CID 117807696
1-(2-Aminoethyl)-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
CID 121327558
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(3,3-dimethylbutyl)hexanamide
CID 132217191
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(5,5-dimethylhexyl)hexanamide
CID 132217200
7-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(3,3-dimethylbutyl)heptanamide
CID 132217216
7-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(5,5-dimethylhexyl)heptanamide
CID 132217237
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(5,5-dimethylhexylamino)-6-oxohexyl]cyclohexane-1-carboxamide
CID 132221826
6-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-N-(5,5-dimethylhexyl)hexanamide
CID 132221827
N-[6-(3,3-dimethylbutylamino)-6-oxohexyl]-4-[(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 132222080
6-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-N-(3,3-dimethylbutyl)hexanamide
CID 132222081
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(3,3-dimethylbutylamino)-6-oxohexyl]cyclohexane-1-carboxamide
CID 132222104

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate (CID 59950824) is methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate is COC(=O)N(C)CCCC(C)C1(C)CC(=O)NC1=O.
What is the InChIKey of methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate?
The InChIKey is UHNWMTDQGDRLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(6-5-7-15(3)12(18)19-4)13(2)8-10(16)14-11(13)17/h9H,5-8H2,1-4H3,(H,14,16,17).
What are the key properties of methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate?
methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate is sourced from PubChem (CID 59950824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).