ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate

C19H19NO5 — CID 70059375

IUPACethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c1-2-24-17(21)12-14-8-10-16(11-9-14)18(22)20-19(23)25-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyXPCPVFRIZSVKET-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.86
Rot. Bonds6

About ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate

ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate (PubChem CID 70059375) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
PubChem CID70059375
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Nameethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(C(=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c1-2-24-17(21)12-14-8-10-16(11-9-14)18(22)20-19(23)25-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyXPCPVFRIZSVKET-UHFFFAOYSA-N
XLogP2.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
[4-(phenylcarbamoyl)phenyl]methyl 2-(4-ethoxyphenyl)acetate
CID 18226760
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-[4-[4-[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]piperazin-1-yl]phenyl]acetate
CID 71266252
benzyl N-benzamidocarbamate
CID 4935848
ethyl 3-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 68727772
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
CID 67620780
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate (CID 70059375) is ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate is CCOC(=O)Cc1ccc(C(=O)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate?
The InChIKey is XPCPVFRIZSVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-2-24-17(21)12-14-8-10-16(11-9-14)18(22)20-19(23)25-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23).
What are the key properties of ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate?
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate has a molecular weight of 341.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate is sourced from PubChem (CID 70059375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).