CID 11982085

C60H64N4O5 — CID 11982085

IUPAC—
SMILESCc1cc2cc(C)c1NC(=O)c1cccc(c1)C(=O)Nc1c(C)cc(cc1C)C1(CCCCC1)c1cc(C)c(c(C)c1)NC(=O)c1cc(O)cc(c1)C(=O)Nc1c(C)cc(cc1C)C21CCCCC1
InChIInChI=1S/C60H64N4O5/c1-34-22-46-23-35(2)51(34)61-55(66)42-16-15-17-43(30-42)56(67)62-52-36(3)24-47(25-37(52)4)60(20-13-10-14-21-60)49-28-40(7)54(41(8)29-49)64-58(69)45-31-44(32-50(65)33-45)57(68)63-53-38(5)26-48(27-39(53)6)59(46)18-11-9-12-19-59/h15-17,22-33,65H,9-14,18-21H2,1-8H3,(H,61,66)(H,62,67)(H,63,68)(H,64,69)
InChIKeyOZMWXAQMCCYCLH-UHFFFAOYSA-N
MW921.19 g/mol
LogP13.68
Rot. Bonds

About CID 11982085

CID 11982085 (PubChem CID 11982085) has the molecular formula C60H64N4O5 and a molecular weight of 921.19 g/mol.

Molecular Properties

Compound NameCID 11982085
PubChem CID11982085
Molecular FormulaC60H64N4O5
Molecular Weight921.19 g/mol
Exact Mass920.49
IUPAC Name—
SMILESCc1cc2cc(C)c1NC(=O)c1cccc(c1)C(=O)Nc1c(C)cc(cc1C)C1(CCCCC1)c1cc(C)c(c(C)c1)NC(=O)c1cc(O)cc(c1)C(=O)Nc1c(C)cc(cc1C)C21CCCCC1
InChIInChI=1S/C60H64N4O5/c1-34-22-46-23-35(2)51(34)61-55(66)42-16-15-17-43(30-42)56(67)62-52-36(3)24-47(25-37(52)4)60(20-13-10-14-21-60)49-28-40(7)54(41(8)29-49)64-58(69)45-31-44(32-50(65)33-45)57(68)63-53-38(5)26-48(27-39(53)6)59(46)18-11-9-12-19-59/h15-17,22-33,65H,9-14,18-21H2,1-8H3,(H,61,66)(H,62,67)(H,63,68)(H,64,69)
InChIKeyOZMWXAQMCCYCLH-UHFFFAOYSA-N
XLogP13.68
TPSA136.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.19
LogP ≤ 513.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze CID 11982085 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 11982085?
The IUPAC name of CID 11982085 (CID 11982085) is not available.
What is the SMILES notation for CID 11982085?
The canonical SMILES for CID 11982085 is Cc1cc2cc(C)c1NC(=O)c1cccc(c1)C(=O)Nc1c(C)cc(cc1C)C1(CCCCC1)c1cc(C)c(c(C)c1)NC(=O)c1cc(O)cc(c1)C(=O)Nc1c(C)cc(cc1C)C21CCCCC1.
What is the InChIKey of CID 11982085?
The InChIKey is OZMWXAQMCCYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N4O5/c1-34-22-46-23-35(2)51(34)61-55(66)42-16-15-17-43(30-42)56(67)62-52-36(3)24-47(25-37(52)4)60(20-13-10-14-21-60)49-28-40(7)54(41(8)29-49)64-58(69)45-31-44(32-50(65)33-45)57(68)63-53-38(5)26-48(27-39(53)6)59(46)18-11-9-12-19-59/h15-17,22-33,65H,9-14,18-21H2,1-8H3,(H,61,66)(H,62,67)(H,63,68)(H,64,69).
What are the key properties of CID 11982085?
CID 11982085 has a molecular weight of 921.19 g/mol, XLogP of 13.68, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11982085 is sourced from PubChem (CID 11982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).