benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate

C19H22N2O3 — CID 78775976

IUPACbenzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
SMILESCc1cc(C)c(NC(=O)CNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-14(2)18(15(3)10-13)21-17(22)11-20-19(23)24-12-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJLHFAYQBLDAHHO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds5

About benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate

benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate (PubChem CID 78775976) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
PubChem CID78775976
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
SMILESCc1cc(C)c(NC(=O)CNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-14(2)18(15(3)10-13)21-17(22)11-20-19(23)24-12-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyJLHFAYQBLDAHHO-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
benzyl N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]carbamate
CID 26005830
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
CID 18930613
5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
CID 142735482
(2S)-3-(4-hydroxy-2-methylphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 57123967
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate (CID 78775976) is benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate is Cc1cc(C)c(NC(=O)CNC(=O)OCc2ccccc2)c(C)c1.
What is the InChIKey of benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
The InChIKey is JLHFAYQBLDAHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-14(2)18(15(3)10-13)21-17(22)11-20-19(23)24-12-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate?
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate is sourced from PubChem (CID 78775976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).