methyl 4-(phenacylamino)benzoate

C16H15NO3 — CID 788616

IUPACmethyl 4-(phenacylamino)benzoate
SMILESCOC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-11-15(18)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKeyUGCZUTLGRZMATM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.77
Rot. Bonds5

About methyl 4-(phenacylamino)benzoate

methyl 4-(phenacylamino)benzoate (PubChem CID 788616) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 4-(phenacylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(phenacylamino)benzoate
PubChem CID788616
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 4-(phenacylamino)benzoate
SMILESCOC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-11-15(18)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3
InChIKeyUGCZUTLGRZMATM-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(phenacylamino)benzoate?
The IUPAC name of methyl 4-(phenacylamino)benzoate (CID 788616) is methyl 4-(phenacylamino)benzoate.
What is the SMILES notation for methyl 4-(phenacylamino)benzoate?
The canonical SMILES for methyl 4-(phenacylamino)benzoate is COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-(phenacylamino)benzoate?
The InChIKey is UGCZUTLGRZMATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-16(19)13-7-9-14(10-8-13)17-11-15(18)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3.
What are the key properties of methyl 4-(phenacylamino)benzoate?
methyl 4-(phenacylamino)benzoate has a molecular weight of 269.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(phenacylamino)benzoate is sourced from PubChem (CID 788616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).