tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate

C25H38N4O6 — CID 18063323

About tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18063323) has the molecular formula C25H38N4O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
• PubChem CID: 18063323
• Molecular Formula: C25H38N4O6
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.28
• IUPAC Name: tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
• SMILES: CC(C)NC(=O)C(c1cccc(O)c1)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C1CCC1
• InChI: InChI=1S/C25H38N4O6/c1-15(2)27-22(32)21(16-8-6-11-18(30)14-16)29(17-9-7-10-17)23(33)19(12-13-20(26)31)28-24(34)35-25(3,4)5/h6,8,11,14-15,17,19,21,30H,7,9-10,12-13H2,1-5H3,(H2,26,31)(H,27,32)(H,28,34)
• InChIKey: SVJOWEKIQLKRTD-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 151.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate (CID 18063323) is tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate is CC(C)NC(=O)C(c1cccc(O)c1)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C1CCC1.

What is the InChIKey of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

The InChIKey is SVJOWEKIQLKRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O6/c1-15(2)27-22(32)21(16-8-6-11-18(30)14-16)29(17-9-7-10-17)23(33)19(12-13-20(26)31)28-24(34)35-25(3,4)5/h6,8,11,14-15,17,19,21,30H,7,9-10,12-13H2,1-5H3,(H2,26,31)(H,27,32)(H,28,34).

What are the key properties of tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate?

tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 490.60 g/mol, XLogP of 2.50, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).