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

C16H17NO4 — CID 108804015

IUPACethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)14(12-7-5-4-6-8-12)17-15(18)13-10-9-11(2)21-13/h4-10,14H,3H2,1-2H3,(H,17,18)
InChIKeyDVKGJRPOVYYUND-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.62
Rot. Bonds5

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

ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate (PubChem CID 108804015) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
PubChem CID108804015
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)14(12-7-5-4-6-8-12)17-15(18)13-10-9-11(2)21-13/h4-10,14H,3H2,1-2H3,(H,17,18)
InChIKeyDVKGJRPOVYYUND-UHFFFAOYSA-N
XLogP2.62
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate;methane
CID 158434674
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
ethyl (2S)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate;methane
CID 158873821
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
CID 101040228
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate (CID 108804015) is ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate is CCOC(=O)C(NC(=O)c1ccc(C)o1)c1ccccc1.
What is the InChIKey of ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is DVKGJRPOVYYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-20-16(19)14(12-7-5-4-6-8-12)17-15(18)13-10-9-11(2)21-13/h4-10,14H,3H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate?
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 287.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 108804015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).