tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate

C24H31N3O4 — CID 27784180

IUPACtert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-15-11-16(2)21(17(3)12-15)26-20(28)14-27(7)22(29)18-9-8-10-19(13-18)25-23(30)31-24(4,5)6/h8-13H,14H2,1-7H3,(H,25,30)(H,26,28)
InChIKeyBBOJQVIKTFQYRL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate (PubChem CID 27784180) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate
PubChem CID27784180
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1
InChIInChI=1S/C24H31N3O4/c1-15-11-16(2)21(17(3)12-15)26-20(28)14-27(7)22(29)18-9-8-10-19(13-18)25-23(30)31-24(4,5)6/h8-13H,14H2,1-7H3,(H,25,30)(H,26,28)
InChIKeyBBOJQVIKTFQYRL-UHFFFAOYSA-N
XLogP4.67
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
tert-butyl N-[4-[methyl-[2-(4-methylanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9374645
3-(difluoromethoxy)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752611
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27804147
3-(3-imidazol-1-ylpropanoylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55985388
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
3,4-dimethoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 7974245
tert-butyl N-[3-[methyl(phenyl)carbamoyl]phenyl]carbamate
CID 46612138
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate (CID 27784180) is tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate is Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1.
What is the InChIKey of tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate?
The InChIKey is BBOJQVIKTFQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-15-11-16(2)21(17(3)12-15)26-20(28)14-27(7)22(29)18-9-8-10-19(13-18)25-23(30)31-24(4,5)6/h8-13H,14H2,1-7H3,(H,25,30)(H,26,28).
What are the key properties of tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate has a molecular weight of 425.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 27784180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).