N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide

C39H46ClN5O6 — CID 175912229

IUPACN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(CCCCN3CCC4(CC3)CC(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C39H46ClN5O6/c1-37(2)34(38(3,4)35(37)51-27-13-12-26(23-41)28(40)21-27)43-32(48)25-10-8-24(9-11-25)7-5-6-18-44-19-16-39(17-20-44)22-31(47)45(36(39)50)29-14-15-30(46)42-33(29)49/h8-13,21,29,34-35H,5-7,14-20,22H2,1-4H3,(H,43,48)(H,42,46,49)/t29-,34?,35?/m1/s1
InChIKeyHVLYBGWUDSRAMM-GVOFKLESSA-N
MW716.28 g/mol
LogP4.79
Rot. Bonds10

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide (PubChem CID 175912229) has the molecular formula C39H46ClN5O6 and a molecular weight of 716.28 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide
PubChem CID175912229
Molecular FormulaC39H46ClN5O6
Molecular Weight716.28 g/mol
Exact Mass715.31
IUPAC NameN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide
SMILESCC1(C)C(NC(=O)c2ccc(CCCCN3CCC4(CC3)CC(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C39H46ClN5O6/c1-37(2)34(38(3,4)35(37)51-27-13-12-26(23-41)28(40)21-27)43-32(48)25-10-8-24(9-11-25)7-5-6-18-44-19-16-39(17-20-44)22-31(47)45(36(39)50)29-14-15-30(46)42-33(29)49/h8-13,21,29,34-35H,5-7,14-20,22H2,1-4H3,(H,43,48)(H,42,46,49)/t29-,34?,35?/m1/s1
InChIKeyHVLYBGWUDSRAMM-GVOFKLESSA-N
XLogP4.79
TPSA148.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500716.28
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide?
The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide (CID 175912229) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide.
What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide?
The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide is CC1(C)C(NC(=O)c2ccc(CCCCN3CCC4(CC3)CC(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide?
The InChIKey is HVLYBGWUDSRAMM-GVOFKLESSA-N. The full InChI is InChI=1S/C39H46ClN5O6/c1-37(2)34(38(3,4)35(37)51-27-13-12-26(23-41)28(40)21-27)43-32(48)25-10-8-24(9-11-25)7-5-6-18-44-19-16-39(17-20-44)22-31(47)45(36(39)50)29-14-15-30(46)42-33(29)49/h8-13,21,29,34-35H,5-7,14-20,22H2,1-4H3,(H,43,48)(H,42,46,49)/t29-,34?,35?/m1/s1.
What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide?
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide has a molecular weight of 716.28 g/mol, XLogP of 4.79, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl]butyl]benzamide is sourced from PubChem (CID 175912229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).