methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate

C15H15NO4 — CID 62111371

IUPACmethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-10-8-9-12(20-10)14(17)16-13(15(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,16,17)
InChIKeyGVEYAVRQUWFEEC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate

methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate (PubChem CID 62111371) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
PubChem CID62111371
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-10-8-9-12(20-10)14(17)16-13(15(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,16,17)
InChIKeyGVEYAVRQUWFEEC-UHFFFAOYSA-N
XLogP2.23
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
methyl (2R)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 58696995
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate (CID 62111371) is methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1.
What is the InChIKey of methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is GVEYAVRQUWFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-8-9-12(20-10)14(17)16-13(15(18)19-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 273.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 62111371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).