[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

C22H19NO6 — CID 3250046

IUPAC[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO6/c1-27-17-11-9-15(10-12-17)20(25)21(16-6-3-2-4-7-16)29-19(24)14-23-22(26)18-8-5-13-28-18/h2-13,21H,14H2,1H3,(H,23,26)
InChIKeyHBZDXVPAGNVPTE-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.19
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate

[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 3250046) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID3250046
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO6/c1-27-17-11-9-15(10-12-17)20(25)21(16-6-3-2-4-7-16)29-19(24)14-23-22(26)18-8-5-13-28-18/h2-13,21H,14H2,1H3,(H,23,26)
InChIKeyHBZDXVPAGNVPTE-UHFFFAOYSA-N
XLogP3.19
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Abexinostat
CID 11749858
A 317920
CID 10389213
CL82198
CID 2777
4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
2-((4-(Propan-2-yloxy)phenyl)formamido)acetic acid
CID 870166
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
N-benzylfuran-2-carboxamide
CID 347531
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate (CID 3250046) is [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is COc1ccc(C(=O)C(OC(=O)CNC(=O)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is HBZDXVPAGNVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-27-17-11-9-15(10-12-17)20(25)21(16-6-3-2-4-7-16)29-19(24)14-23-22(26)18-8-5-13-28-18/h2-13,21H,14H2,1H3,(H,23,26).
What are the key properties of [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate?
[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 393.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 3250046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).