methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate

C13H14N2O4 — CID 170984962

IUPACmethyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O4/c1-14(13(18)19-2)7-8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKeyNZOAGQWYQXOIGM-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.98
Rot. Bonds3

About methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate

methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate (PubChem CID 170984962) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
PubChem CID170984962
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namemethyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H14N2O4/c1-14(13(18)19-2)7-8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3
InChIKeyNZOAGQWYQXOIGM-UHFFFAOYSA-N
XLogP0.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
(2S)-6-(1,3-dioxoisoindol-2-yl)-2-[methoxycarbonyl(methyl)amino]hexanoic acid
CID 175528677
6-(1,3-dioxoisoindol-2-yl)-2-[methoxycarbonyl(methyl)amino]hexanoic acid
CID 175528679
methyl N-[5-(1,3-dioxoisoindol-2-yl)-1-oxopentan-2-yl]-N-methylcarbamate
CID 138972413
2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 62822311
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
tert-butyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetate
CID 134509436
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 175771620
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylacetamide
CID 12815728

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate (CID 170984962) is methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate is COC(=O)N(C)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate?
The InChIKey is NZOAGQWYQXOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-14(13(18)19-2)7-8-15-11(16)9-5-3-4-6-10(9)12(15)17/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate?
methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate has a molecular weight of 262.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 170984962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).