benzyl 2-(4-methylanilino)acetate

C16H17NO2 — CID 60721801

IUPACbenzyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)17-11-16(18)19-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyBPWPXSUCNDLWKE-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.15
Rot. Bonds5

About benzyl 2-(4-methylanilino)acetate

benzyl 2-(4-methylanilino)acetate (PubChem CID 60721801) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl 2-(4-methylanilino)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-methylanilino)acetate
PubChem CID60721801
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)17-11-16(18)19-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyBPWPXSUCNDLWKE-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylanilino)acetate?
The IUPAC name of benzyl 2-(4-methylanilino)acetate (CID 60721801) is benzyl 2-(4-methylanilino)acetate.
What is the SMILES notation for benzyl 2-(4-methylanilino)acetate?
The canonical SMILES for benzyl 2-(4-methylanilino)acetate is Cc1ccc(NCC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-(4-methylanilino)acetate?
The InChIKey is BPWPXSUCNDLWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)17-11-16(18)19-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of benzyl 2-(4-methylanilino)acetate?
benzyl 2-(4-methylanilino)acetate has a molecular weight of 255.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylanilino)acetate is sourced from PubChem (CID 60721801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).