N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide

C50H61N5O8 — CID 158529205

About N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide (PubChem CID 158529205) has the molecular formula C50H61N5O8 and a molecular weight of 860.06 g/mol. Its IUPAC name is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide
• PubChem CID: 158529205
• Molecular Formula: C50H61N5O8
• Molecular Weight: 860.06 g/mol
• Exact Mass: 859.45
• IUPAC Name: N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide
• SMILES: COc1cc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)NC6C(C)(C)C(Oc7cc(C)c(C#N)c(C)c7)C6(C)C)cc5)CC4)C3)C2)ccc1C(=O)C[C@H]1CCC(=O)NC1=O
• InChI: InChI=1S/C50H61N5O8/c1-30-22-37(23-31(2)40(30)28-51)63-47-48(3,4)46(49(47,5)6)53-44(58)32-8-11-34(12-9-32)54-18-16-50(17-19-54)29-55(20-21-61-50)35-25-38(26-35)62-36-13-14-39(42(27-36)60-7)41(56)24-33-10-15-43(57)52-45(33)59/h8-9,11-14,22-23,27,33,35,38,46-47H,10,15-21,24-26,29H2,1-7H3,(H,53,58)(H,52,57,59)/t33-,35?,38?,46?,47?/m1/s1
• InChIKey: PBQSLOCOSPXECN-QOQRCWKBSA-N
• XLogP: 6.70
• TPSA: 159.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.06
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide?

The IUPAC name of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide (CID 158529205) is N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide.

What is the SMILES notation for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide?

The canonical SMILES for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide is COc1cc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)NC6C(C)(C)C(Oc7cc(C)c(C#N)c(C)c7)C6(C)C)cc5)CC4)C3)C2)ccc1C(=O)C[C@H]1CCC(=O)NC1=O.

What is the InChIKey of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide?

The InChIKey is PBQSLOCOSPXECN-QOQRCWKBSA-N. The full InChI is InChI=1S/C50H61N5O8/c1-30-22-37(23-31(2)40(30)28-51)63-47-48(3,4)46(49(47,5)6)53-44(58)32-8-11-34(12-9-32)54-18-16-50(17-19-54)29-55(20-21-61-50)35-25-38(26-35)62-36-13-14-39(42(27-36)60-7)41(56)24-33-10-15-43(57)52-45(33)59/h8-9,11-14,22-23,27,33,35,38,46-47H,10,15-21,24-26,29H2,1-7H3,(H,53,58)(H,52,57,59)/t33-,35?,38?,46?,47?/m1/s1.

What are the key properties of N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide?

N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide has a molecular weight of 860.06 g/mol, XLogP of 6.70, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide is sourced from PubChem (CID 158529205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).