N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine

C139H212N6O20 — CID 158815357

IUPACN-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
SMILESCC(C)(C)OC1CC(Oc2ccc(C#CCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1.CN(C(=O)COCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1)C(C)(C)C
InChIInChI=1S/2C25H38O4.C24H37N3O2.C24H35NO4.C22H32O3.C19H32N2O3/c2*1-24(2,3)27-17-9-16-26-15-8-7-10-20-11-13-21(14-12-20)28-22-18-23(19-22)29-25(4,5)6;1-23(2,3)27-14-12-26(13-15-27)11-7-8-19-9-10-20(18-25-19)28-21-16-22(17-21)29-24(4,5)6;1-23(2,3)25(7)22(26)17-27-14-8-9-18-10-12-19(13-11-18)28-20-15-21(16-20)29-24(4,5)6;1-21(2,3)23-14-8-7-9-17-10-12-18(13-11-17)24-19-15-20(16-19)25-22(4,5)6;1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h2*11-14,22-23H,8-9,15-19H2,1-6H3;9-10,18,21-22H,11-17H2,1-6H3;10-13,20-21H,14-17H2,1-7H3;10-13,19-20H,8,14-16H2,1-6H3;12-15H,7-11H2,1-6H3
InChIKeyIVEVCWNTVBVWQD-UHFFFAOYSA-N
MW2287.25 g/mol
LogP27.28
Rot. Bonds40

About N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine

N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine (PubChem CID 158815357) has the molecular formula C139H212N6O20 and a molecular weight of 2287.25 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
PubChem CID158815357
Molecular FormulaC139H212N6O20
Molecular Weight2287.25 g/mol
Exact Mass2285.58
IUPAC NameN-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine
SMILESCC(C)(C)OC1CC(Oc2ccc(C#CCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1.CN(C(=O)COCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1)C(C)(C)C
InChIInChI=1S/2C25H38O4.C24H37N3O2.C24H35NO4.C22H32O3.C19H32N2O3/c2*1-24(2,3)27-17-9-16-26-15-8-7-10-20-11-13-21(14-12-20)28-22-18-23(19-22)29-25(4,5)6;1-23(2,3)27-14-12-26(13-15-27)11-7-8-19-9-10-20(18-25-19)28-21-16-22(17-21)29-24(4,5)6;1-23(2,3)25(7)22(26)17-27-14-8-9-18-10-12-19(13-11-18)28-20-15-21(16-20)29-24(4,5)6;1-21(2,3)23-14-8-7-9-17-10-12-18(13-11-17)24-19-15-20(16-19)25-22(4,5)6;1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h2*11-14,22-23H,8-9,15-19H2,1-6H3;9-10,18,21-22H,11-17H2,1-6H3;10-13,20-21H,14-17H2,1-7H3;10-13,19-20H,8,14-16H2,1-6H3;12-15H,7-11H2,1-6H3
InChIKeyIVEVCWNTVBVWQD-UHFFFAOYSA-N
XLogP27.28
TPSA240.83 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.25
LogP ≤ 527.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The IUPAC name of N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine (CID 158815357) is N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine.
What is the SMILES notation for N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The canonical SMILES for N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine is CC(C)(C)OC1CC(Oc2ccc(C#CCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCOCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1.CC(C)(C)OCCCc1ncc(OC2CC(OC(C)(C)C)C2)cn1.CN(C(=O)COCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
The InChIKey is IVEVCWNTVBVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H38O4.C24H37N3O2.C24H35NO4.C22H32O3.C19H32N2O3/c2*1-24(2,3)27-17-9-16-26-15-8-7-10-20-11-13-21(14-12-20)28-22-18-23(19-22)29-25(4,5)6;1-23(2,3)27-14-12-26(13-15-27)11-7-8-19-9-10-20(18-25-19)28-21-16-22(17-21)29-24(4,5)6;1-23(2,3)25(7)22(26)17-27-14-8-9-18-10-12-19(13-11-18)28-20-15-21(16-20)29-24(4,5)6;1-21(2,3)23-14-8-7-9-17-10-12-18(13-11-17)24-19-15-20(16-19)25-22(4,5)6;1-18(2,3)22-9-7-8-17-20-12-16(13-21-17)23-14-10-15(11-14)24-19(4,5)6/h2*11-14,22-23H,8-9,15-19H2,1-6H3;9-10,18,21-22H,11-17H2,1-6H3;10-13,20-21H,14-17H2,1-7H3;10-13,19-20H,8,14-16H2,1-6H3;12-15H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine?
N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine has a molecular weight of 2287.25 g/mol, XLogP of 27.28, 40 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-[3-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyphenyl]prop-2-ynoxy]acetamide;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]prop-2-ynyl]piperazine;1-[4-[(2-methylpropan-2-yl)oxy]but-1-ynyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxybenzene;bis(1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]benzene);5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine is sourced from PubChem (CID 158815357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).