[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate

C20H17NO5 — CID 2342352

IUPAC[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCOc1cccc(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c1
InChIInChI=1S/C20H17NO5/c1-24-16-10-5-9-15(13-16)21-19(22)18(14-7-3-2-4-8-14)26-20(23)17-11-6-12-25-17/h2-13,18H,1H3,(H,21,22)/t18-/m1/s1
InChIKeyNNOCIAUTIDIDAI-GOSISDBHSA-N
MW351.36 g/mol
LogP3.83
Rot. Bonds6

About [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate (PubChem CID 2342352) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
PubChem CID2342352
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESCOc1cccc(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c1
InChIInChI=1S/C20H17NO5/c1-24-16-10-5-9-15(13-16)21-19(22)18(14-7-3-2-4-8-14)26-20(23)17-11-6-12-25-17/h2-13,18H,1H3,(H,21,22)/t18-/m1/s1
InChIKeyNNOCIAUTIDIDAI-GOSISDBHSA-N
XLogP3.83
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate 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

[(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631542
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate
CID 2513216
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-(furan-2-yl)propanoate
CID 55323062
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2631518
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 2515095
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 2624663
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3,4-dimethylbenzoate
CID 42901130
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2,3-dimethoxybenzoate
CID 2515766
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate
CID 4104730
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 7981048
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506248

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate (CID 2342352) is [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate is COc1cccc(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
The InChIKey is NNOCIAUTIDIDAI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-16-10-5-9-15(13-16)21-19(22)18(14-7-3-2-4-8-14)26-20(23)17-11-6-12-25-17/h2-13,18H,1H3,(H,21,22)/t18-/m1/s1.
What are the key properties of [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate?
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate is sourced from PubChem (CID 2342352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).