benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate

C17H18N2O3 — CID 683902

IUPACbenzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)19-16(20)11-18-17(21)22-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyJGDXXOWGLAXKTI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.86
Rot. Bonds5

About benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate

benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate (PubChem CID 683902) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
PubChem CID683902
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
SMILESCc1ccccc1NC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)19-16(20)11-18-17(21)22-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyJGDXXOWGLAXKTI-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate (CID 683902) is benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate is Cc1ccccc1NC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is JGDXXOWGLAXKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-7-5-6-10-15(13)19-16(20)11-18-17(21)22-12-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 683902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).