tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate

C24H39N3O4 — CID 18015596

About tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate (PubChem CID 18015596) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate
• PubChem CID: 18015596
• Molecular Formula: C24H39N3O4
• Molecular Weight: 433.59 g/mol
• Exact Mass: 433.29
• IUPAC Name: tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate
• SMILES: CCCC(C)NC(=O)C(c1ccc(C)c(C)c1)N(CC)C(=O)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H39N3O4/c1-9-11-18(5)26-22(29)21(19-13-12-16(3)17(4)14-19)27(10-2)20(28)15-25-23(30)31-24(6,7)8/h12-14,18,21H,9-11,15H2,1-8H3,(H,25,30)(H,26,29)
• InChIKey: GSMUTEDPYQQOSD-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.59
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate (CID 18015596) is tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate is CCCC(C)NC(=O)C(c1ccc(C)c(C)c1)N(CC)C(=O)CNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate?

The InChIKey is GSMUTEDPYQQOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-9-11-18(5)26-22(29)21(19-13-12-16(3)17(4)14-19)27(10-2)20(28)15-25-23(30)31-24(6,7)8/h12-14,18,21H,9-11,15H2,1-8H3,(H,25,30)(H,26,29).

What are the key properties of tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate?

tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate has a molecular weight of 433.59 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[1-(3,4-dimethylphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]-ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18015596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).