CID 110212523

C24H27N3O3 — CID 110212523

IUPAC—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4ccco4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H27N3O3/c1-28-18-6-7-21-20(14-18)25-24(22-5-2-10-27(21)22)16-23(30-17-24)8-11-26(12-9-23)15-19-4-3-13-29-19/h2-7,10,13-14,25H,8-9,11-12,15-17H2,1H3
InChIKeyDGJDACSDUWQCQN-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.15
Rot. Bonds3

About CID 110212523

CID 110212523 (PubChem CID 110212523) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol.

Molecular Properties

Compound NameCID 110212523
PubChem CID110212523
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name—
SMILESCOc1ccc2c(c1)NC1(COC3(CCN(Cc4ccco4)CC3)C1)c1cccn1-2
InChIInChI=1S/C24H27N3O3/c1-28-18-6-7-21-20(14-18)25-24(22-5-2-10-27(21)22)16-23(30-17-24)8-11-26(12-9-23)15-19-4-3-13-29-19/h2-7,10,13-14,25H,8-9,11-12,15-17H2,1H3
InChIKeyDGJDACSDUWQCQN-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 110212523?
The IUPAC name of CID 110212523 (CID 110212523) is not available.
What is the SMILES notation for CID 110212523?
The canonical SMILES for CID 110212523 is COc1ccc2c(c1)NC1(COC3(CCN(Cc4ccco4)CC3)C1)c1cccn1-2.
What is the InChIKey of CID 110212523?
The InChIKey is DGJDACSDUWQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-28-18-6-7-21-20(14-18)25-24(22-5-2-10-27(21)22)16-23(30-17-24)8-11-26(12-9-23)15-19-4-3-13-29-19/h2-7,10,13-14,25H,8-9,11-12,15-17H2,1H3.
What are the key properties of CID 110212523?
CID 110212523 has a molecular weight of 405.50 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 110212523 is sourced from PubChem (CID 110212523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).