tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C26H33N3O6 — CID 18017734

About tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 18017734) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 18017734
• Molecular Formula: C26H33N3O6
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.24
• IUPAC Name: tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
• SMILES: COc1ccc(NC(=O)C(c2cccc(O)c2)N(C(=O)CNC(=O)OC(C)(C)C)C2CCC2)cc1
• InChI: InChI=1S/C26H33N3O6/c1-26(2,3)35-25(33)27-16-22(31)29(19-8-6-9-19)23(17-7-5-10-20(30)15-17)24(32)28-18-11-13-21(34-4)14-12-18/h5,7,10-15,19,23,30H,6,8-9,16H2,1-4H3,(H,27,33)(H,28,32)
• InChIKey: HOEIWPKMLYGTHM-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 117.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 18017734) is tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is COc1ccc(NC(=O)C(c2cccc(O)c2)N(C(=O)CNC(=O)OC(C)(C)C)C2CCC2)cc1.

What is the InChIKey of tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

The InChIKey is HOEIWPKMLYGTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-26(2,3)35-25(33)27-16-22(31)29(19-8-6-9-19)23(17-7-5-10-20(30)15-17)24(32)28-18-11-13-21(34-4)14-12-18/h5,7,10-15,19,23,30H,6,8-9,16H2,1-4H3,(H,27,33)(H,28,32).

What are the key properties of tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?

tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 483.57 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[cyclobutyl-[1-(3-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).