methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate

C17H17NO4 — CID 3068544

IUPACmethyl 2-(N-methoxycarbonylanilino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-16(19)15(13-9-5-3-6-10-13)18(17(20)22-2)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKeyHYMJHJGHMRYTRY-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.17
Rot. Bonds4

About methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate

methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate (PubChem CID 3068544) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(N-methoxycarbonylanilino)-2-phenylacetate
PubChem CID3068544
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-(N-methoxycarbonylanilino)-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)N(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-21-16(19)15(13-9-5-3-6-10-13)18(17(20)22-2)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKeyHYMJHJGHMRYTRY-UHFFFAOYSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate?
The IUPAC name of methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate (CID 3068544) is methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate?
The canonical SMILES for methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate is COC(=O)C(c1ccccc1)N(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate?
The InChIKey is HYMJHJGHMRYTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-16(19)15(13-9-5-3-6-10-13)18(17(20)22-2)14-11-7-4-8-12-14/h3-12,15H,1-2H3.
What are the key properties of methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate?
methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate has a molecular weight of 299.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate is sourced from PubChem (CID 3068544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).