CID 110212525

C26H29N3O2 — CID 110212525

IUPAC—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4ccccc4)CC3)C1)c1cccn1-2
InChIInChI=1S/C26H29N3O2/c1-30-21-9-10-23-22(16-21)27-26(24-8-5-13-29(23)24)18-25(31-19-26)11-14-28(15-12-25)17-20-6-3-2-4-7-20/h2-10,13,16,27H,11-12,14-15,17-19H2,1H3
InChIKeyXMVCQKULBDXKHK-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.56
Rot. Bonds3

About CID 110212525

CID 110212525 (PubChem CID 110212525) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol.

Molecular Properties

Compound NameCID 110212525
PubChem CID110212525
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4ccccc4)CC3)C1)c1cccn1-2
InChIInChI=1S/C26H29N3O2/c1-30-21-9-10-23-22(16-21)27-26(24-8-5-13-29(23)24)18-25(31-19-26)11-14-28(15-12-25)17-20-6-3-2-4-7-20/h2-10,13,16,27H,11-12,14-15,17-19H2,1H3
InChIKeyXMVCQKULBDXKHK-UHFFFAOYSA-N
XLogP4.56
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 110212601
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CID 110212622
CID 110212622
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CID 110212556
CID 110212556
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Frequently Asked Questions

What is the IUPAC name of CID 110212525?
The IUPAC name of CID 110212525 (CID 110212525) is not available.
What is the SMILES notation for CID 110212525?
The canonical SMILES for CID 110212525 is COc1ccc2c(c1)NC1(COC3(CCN(Cc4ccccc4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 110212525?
The InChIKey is XMVCQKULBDXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-30-21-9-10-23-22(16-21)27-26(24-8-5-13-29(23)24)18-25(31-19-26)11-14-28(15-12-25)17-20-6-3-2-4-7-20/h2-10,13,16,27H,11-12,14-15,17-19H2,1H3.
What are the key properties of CID 110212525?
CID 110212525 has a molecular weight of 415.54 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212525 is sourced from PubChem (CID 110212525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).