tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate

C28H37N3O4 — CID 18017879

IUPACtert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
SMILESCc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CCC2)cc1C
InChIInChI=1S/C28H37N3O4/c1-19-14-15-22(16-20(19)2)25(26(33)29-17-21-10-7-6-8-11-21)31(23-12-9-13-23)24(32)18-30-27(34)35-28(3,4)5/h6-8,10-11,14-16,23,25H,9,12-13,17-18H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyCCMPJMVSIRQGBZ-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.57
Rot. Bonds8

About tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate (PubChem CID 18017879) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
PubChem CID18017879
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Nametert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
SMILESCc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CCC2)cc1C
InChIInChI=1S/C28H37N3O4/c1-19-14-15-22(16-20(19)2)25(26(33)29-17-21-10-7-6-8-11-21)31(23-12-9-13-23)24(32)18-30-27(34)35-28(3,4)5/h6-8,10-11,14-16,23,25H,9,12-13,17-18H2,1-5H3,(H,29,33)(H,30,34)
InChIKeyCCMPJMVSIRQGBZ-UHFFFAOYSA-N
XLogP4.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]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

tert-butyl N-[2-[[2-(benzylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-2-oxoethyl]carbamate
CID 18017654
tert-butyl N-[2-[[2-(benzylamino)-1-(2,6-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
CID 18017894
tert-butyl N-[2-[[2-(benzylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]carbamate
CID 18016679
tert-butyl N-[2-[cyclobutyl-[2-(cyclohexylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017878
tert-butyl N-[2-[cyclobutyl-[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017923
tert-butyl N-[1-[[2-(benzylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18011084
tert-butyl N-[1-[[2-(benzylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1-oxopropan-2-yl]carbamate
CID 18011954
tert-butyl N-[2-[[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate
CID 18017694
tert-butyl N-[2-[cyclopropyl-[1-(4-ethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18016665
tert-butyl N-[1-[[2-(benzylamino)-1-(4-methylphenyl)-2-oxoethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010874
tert-butyl N-[2-[cyclobutyl-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18017683
tert-butyl N-[4-amino-1-[[2-(benzylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]-cyclopropylamino]-1,4-dioxobutan-2-yl]carbamate
CID 18050984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate (CID 18017879) is tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate is Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)CNC(=O)OC(C)(C)C)C2CCC2)cc1C.
What is the InChIKey of tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate?
The InChIKey is CCMPJMVSIRQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-19-14-15-22(16-20(19)2)25(26(33)29-17-21-10-7-6-8-11-21)31(23-12-9-13-23)24(32)18-30-27(34)35-28(3,4)5/h6-8,10-11,14-16,23,25H,9,12-13,17-18H2,1-5H3,(H,29,33)(H,30,34).
What are the key properties of tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate has a molecular weight of 479.62 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(benzylamino)-1-(3,4-dimethylphenyl)-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18017879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).