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

C32H38N4O6 — CID 70256637

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

tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate (PubChem CID 70256637) has the molecular formula C32H38N4O6 and a molecular weight of 574.68 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
• PubChem CID: 70256637
• Molecular Formula: C32H38N4O6
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.28
• IUPAC Name: tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate
• SMILES: Cc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C32H38N4O6/c1-23-13-12-16-25(19-23)35(6)30(39)22-41-27-18-11-10-17-26(27)36(28(37)20-33-31(40)42-32(2,3)4)21-29(38)34(5)24-14-8-7-9-15-24/h7-19H,20-22H2,1-6H3,(H,33,40)
• InChIKey: NEWNFICWAXOGJE-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate (CID 70256637) is tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate is Cc1cccc(N(C)C(=O)COc2ccccc2N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)OC(C)(C)C)c1.

What is the InChIKey of tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate?

The InChIKey is NEWNFICWAXOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O6/c1-23-13-12-16-25(19-23)35(6)30(39)22-41-27-18-11-10-17-26(27)36(28(37)20-33-31(40)42-32(2,3)4)21-29(38)34(5)24-14-8-7-9-15-24/h7-19H,20-22H2,1-6H3,(H,33,40).

What are the key properties of tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate?

tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate has a molecular weight of 574.68 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-(N,3-dimethylanilino)-2-oxoethoxy]-N-[2-(N-methylanilino)-2-oxoethyl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 70256637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).