tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate

C15H22N2O3 — CID 23200830

IUPACtert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
SMILESCc1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)17-13(18)9-16-14(19)20-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyDIJYPNDJVYHUGD-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate (PubChem CID 23200830) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
PubChem CID23200830
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
SMILESCc1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)17-13(18)9-16-14(19)20-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18)
InChIKeyDIJYPNDJVYHUGD-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-(chloromethyl)-3-methylanilino]-2-oxoethyl]carbamate
CID 14368472
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]carbamate
CID 60596283
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
CID 103387317
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
tert-butyl N-[(2,3-dimethylphenyl)carbamothioylamino]carbamate
CID 8017305
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917462
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate (CID 23200830) is tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate is Cc1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The InChIKey is DIJYPNDJVYHUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-7-6-8-12(11(10)2)17-13(18)9-16-14(19)20-15(3,4)5/h6-8H,9H2,1-5H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 23200830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).