N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide

C26H34N4O5S — CID 42778989

About N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide

N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 42778989) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
• PubChem CID: 42778989
• Molecular Formula: C26H34N4O5S
• Molecular Weight: 514.65 g/mol
• Exact Mass: 514.22
• IUPAC Name: N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide
• SMILES: Cc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)N2CCC3(CC2)OCCO3)cs1)CC(C)C
• InChI: InChI=1S/C26H34N4O5S/c1-18(2)15-30(24(33)21-7-5-4-6-19(21)3)16-22(31)28-25-27-20(17-36-25)14-23(32)29-10-8-26(9-11-29)34-12-13-35-26/h4-7,17-18H,8-16H2,1-3H3,(H,27,28,31)
• InChIKey: CWRVEVMMECNYJG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide (CID 42778989) is N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide is Cc1ccccc1C(=O)N(CC(=O)Nc1nc(CC(=O)N2CCC3(CC2)OCCO3)cs1)CC(C)C.

What is the InChIKey of N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?

The InChIKey is CWRVEVMMECNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-18(2)15-30(24(33)21-7-5-4-6-19(21)3)16-22(31)28-25-27-20(17-36-25)14-23(32)29-10-8-26(9-11-29)34-12-13-35-26/h4-7,17-18H,8-16H2,1-3H3,(H,27,28,31).

What are the key properties of N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide?

N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 514.65 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42778989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).