2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate

C18H22N2O5 — CID 130304736

IUPAC2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
SMILESC=CCCCCN(C)C(=O)OCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O5/c1-3-4-5-8-11-19(2)18(23)24-12-13-25-20-16(21)14-9-6-7-10-15(14)17(20)22/h3,6-7,9-10H,1,4-5,8,11-13H2,2H3
InChIKeyHWJBUMUKKJLQGH-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.64
Rot. Bonds9

About 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate

2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate (PubChem CID 130304736) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
PubChem CID130304736
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate
SMILESC=CCCCCN(C)C(=O)OCCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H22N2O5/c1-3-4-5-8-11-19(2)18(23)24-12-13-25-20-16(21)14-9-6-7-10-15(14)17(20)22/h3,6-7,9-10H,1,4-5,8,11-13H2,2H3
InChIKeyHWJBUMUKKJLQGH-UHFFFAOYSA-N
XLogP2.64
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate 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

2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)oxyethyl]-N-methylcarbamate
CID 59846673
3-methylidene-2-pent-4-enoxyisoindol-1-one
CID 123151473
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
3-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483783
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
2-amino-N-hept-6-enyl-N-methylbenzamide
CID 119945566
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
3-(2-aminophenyl)-N-hept-6-enyl-N-methylpropanamide
CID 120610953
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate (CID 130304736) is 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate is C=CCCCCN(C)C(=O)OCCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate?
The InChIKey is HWJBUMUKKJLQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-3-4-5-8-11-19(2)18(23)24-12-13-25-20-16(21)14-9-6-7-10-15(14)17(20)22/h3,6-7,9-10H,1,4-5,8,11-13H2,2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate?
2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate has a molecular weight of 346.38 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)oxyethyl N-hex-5-enyl-N-methylcarbamate is sourced from PubChem (CID 130304736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).