phenacyl 2-(phenylmethoxycarbonylamino)acetate

C18H17NO5 — CID 15329263

IUPACphenacyl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c20-16(15-9-5-2-6-10-15)13-23-17(21)11-19-18(22)24-12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,22)
InChIKeyXCBSDJITLCAPJV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.34
Rot. Bonds7

About phenacyl 2-(phenylmethoxycarbonylamino)acetate

phenacyl 2-(phenylmethoxycarbonylamino)acetate (PubChem CID 15329263) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is phenacyl 2-(phenylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Namephenacyl 2-(phenylmethoxycarbonylamino)acetate
PubChem CID15329263
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namephenacyl 2-(phenylmethoxycarbonylamino)acetate
SMILESO=C(CNC(=O)OCc1ccccc1)OCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO5/c20-16(15-9-5-2-6-10-15)13-23-17(21)11-19-18(22)24-12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,22)
InChIKeyXCBSDJITLCAPJV-UHFFFAOYSA-N
XLogP2.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(phenylmethoxycarbonylamino)acetate?
The IUPAC name of phenacyl 2-(phenylmethoxycarbonylamino)acetate (CID 15329263) is phenacyl 2-(phenylmethoxycarbonylamino)acetate.
What is the SMILES notation for phenacyl 2-(phenylmethoxycarbonylamino)acetate?
The canonical SMILES for phenacyl 2-(phenylmethoxycarbonylamino)acetate is O=C(CNC(=O)OCc1ccccc1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-(phenylmethoxycarbonylamino)acetate?
The InChIKey is XCBSDJITLCAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c20-16(15-9-5-2-6-10-15)13-23-17(21)11-19-18(22)24-12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,22).
What are the key properties of phenacyl 2-(phenylmethoxycarbonylamino)acetate?
phenacyl 2-(phenylmethoxycarbonylamino)acetate has a molecular weight of 327.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(phenylmethoxycarbonylamino)acetate is sourced from PubChem (CID 15329263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).