methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate

C19H19N3O3 — CID 6880792

IUPACmethyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-24-19(23)21-20-13-15-14-22(18-10-6-5-9-17(15)18)11-12-25-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23)/b20-13+
InChIKeyOKAFGCQYRRMYKT-DEDYPNTBSA-N
MW337.38 g/mol
LogP3.41
Rot. Bonds6

About methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate

methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate (PubChem CID 6880792) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate
PubChem CID6880792
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-24-19(23)21-20-13-15-14-22(18-10-6-5-9-17(15)18)11-12-25-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23)/b20-13+
InChIKeyOKAFGCQYRRMYKT-DEDYPNTBSA-N
XLogP3.41
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate (CID 6880792) is methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate is COC(=O)N/N=C/c1cn(CCOc2ccccc2)c2ccccc12.
What is the InChIKey of methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate?
The InChIKey is OKAFGCQYRRMYKT-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-19(23)21-20-13-15-14-22(18-10-6-5-9-17(15)18)11-12-25-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3,(H,21,23)/b20-13+.
What are the key properties of methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate?
methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate has a molecular weight of 337.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]carbamate is sourced from PubChem (CID 6880792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).