ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate

C20H19NO4 — CID 66813687

IUPACethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)[C@](C)(NC(=O)c1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4/c1-3-24-19(23)20(2,21-18(22)17-9-6-12-25-17)16-11-10-14-7-4-5-8-15(14)13-16/h4-13H,3H2,1-2H3,(H,21,22)/t20-/m1/s1
InChIKeyWTZQTGQWFYHRPV-HXUWFJFHSA-N
MW337.38 g/mol
LogP3.64
Rot. Bonds5

About ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate

ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate (PubChem CID 66813687) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
PubChem CID66813687
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
SMILESCCOC(=O)[C@](C)(NC(=O)c1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4/c1-3-24-19(23)20(2,21-18(22)17-9-6-12-25-17)16-11-10-14-7-4-5-8-15(14)13-16/h4-13H,3H2,1-2H3,(H,21,22)/t20-/m1/s1
InChIKeyWTZQTGQWFYHRPV-HXUWFJFHSA-N
XLogP3.64
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
CID 117048785
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
[(2S)-3-ethoxy-1,1,1-trifluoro-2-(furan-2-carbonylamino)-3-oxopropan-2-yl]-(furan-2-ylmethyl)azanium
CID 7035232
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate?
The IUPAC name of ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate (CID 66813687) is ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate?
The canonical SMILES for ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate is CCOC(=O)[C@](C)(NC(=O)c1ccco1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate?
The InChIKey is WTZQTGQWFYHRPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-19(23)20(2,21-18(22)17-9-6-12-25-17)16-11-10-14-7-4-5-8-15(14)13-16/h4-13H,3H2,1-2H3,(H,21,22)/t20-/m1/s1.
What are the key properties of ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate?
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 66813687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).