CID 162861572

C30H27N3O3 — CID 162861572

IUPAC—
SMILESCc1ccc2c(c1C)NC(=O)[C@@]21[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21
InChIInChI=1S/C30H27N3O3/c1-17-14-15-21-24(18(17)2)32-28(36)30(21)26(25(34)19-9-4-3-5-10-19)29(23-13-8-16-33(23)30)20-11-6-7-12-22(20)31-27(29)35/h3-7,9-12,14-15,23,26H,8,13,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,26+,29+,30+/m1/s1
InChIKeyOEMOBXILVBMUHM-KGHIKEGSSA-N
MW477.56 g/mol
LogP4.32
Rot. Bonds2

About CID 162861572

CID 162861572 (PubChem CID 162861572) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol.

Molecular Properties

Compound NameCID 162861572
PubChem CID162861572
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name—
SMILESCc1ccc2c(c1C)NC(=O)[C@@]21[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21
InChIInChI=1S/C30H27N3O3/c1-17-14-15-21-24(18(17)2)32-28(36)30(21)26(25(34)19-9-4-3-5-10-19)29(23-13-8-16-33(23)30)20-11-6-7-12-22(20)31-27(29)35/h3-7,9-12,14-15,23,26H,8,13,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,26+,29+,30+/m1/s1
InChIKeyOEMOBXILVBMUHM-KGHIKEGSSA-N
XLogP4.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 162861572?
The IUPAC name of CID 162861572 (CID 162861572) is not available.
What is the SMILES notation for CID 162861572?
The canonical SMILES for CID 162861572 is Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21.
What is the InChIKey of CID 162861572?
The InChIKey is OEMOBXILVBMUHM-KGHIKEGSSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-17-14-15-21-24(18(17)2)32-28(36)30(21)26(25(34)19-9-4-3-5-10-19)29(23-13-8-16-33(23)30)20-11-6-7-12-22(20)31-27(29)35/h3-7,9-12,14-15,23,26H,8,13,16H2,1-2H3,(H,31,35)(H,32,36)/t23-,26+,29+,30+/m1/s1.
What are the key properties of CID 162861572?
CID 162861572 has a molecular weight of 477.56 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162861572 is sourced from PubChem (CID 162861572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).