Ethyl 3-[{[4-({1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

HCID 68511355

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cc(-c3cccc(OC)c3)oc2C)cc1
InChIKey: IEWNNRWVMJASPC-UHFFFAOYSA-N
Molecular formula: C30H38N2O5
Average molar mass: 506.6 g/mol
Monoisotopic mass: 506.27807232

Names & identifiers

Preferred name: Ethyl 3-[{[4-({1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate
IUPAC: ethyl 3-[[4-[[1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl]amino]benzoyl]-methylamino]propanoate

Names & synonyms

SCHEMBL3099380IEWNNRWVMJASPC-UHFFFAOYSA-Nethyl 3-[{[4-({1-[5-(3-methoxyphenyl)-2-methylfuran-3-yl]-3-methylbutyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

Database identifiers

PubChem CID: 68511355

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 81 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 13
Heavy atoms: 37
Formal charge: 0
Complexity: 708

Related reactions

7 records

New reaction record

HRID 213315As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 681565As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 825454As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1877125As productuspto-grants-2012_11

HRID 1877126As reactantuspto-grants-2012_11

HRID 1877136As reactantuspto-grants-2012_11

HRID 1877137As reactantuspto-grants-2012_11

Compound notes

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