CID 88746072

C21H27GeN3O4 — CID 88746072

IUPAC—
SMILESCN(C(=O)CCN1CCN(Cc2ccccc2)CC1)c1ccc([Ge]OOO)cc1
InChIInChI=1S/C21H27GeN3O4/c1-23(20-9-7-19(8-10-20)22-28-29-27)21(26)11-12-24-13-15-25(16-14-24)17-18-5-3-2-4-6-18/h2-10,27H,11-17H2,1H3
InChIKeyJMKZYTHXGGTCTQ-UHFFFAOYSA-N
MW458.07 g/mol
LogP1.52
Rot. Bonds9

About CID 88746072

CID 88746072 (PubChem CID 88746072) has the molecular formula C21H27GeN3O4 and a molecular weight of 458.07 g/mol.

Molecular Properties

Compound NameCID 88746072
PubChem CID88746072
Molecular FormulaC21H27GeN3O4
Molecular Weight458.07 g/mol
Exact Mass459.12
IUPAC Name—
SMILESCN(C(=O)CCN1CCN(Cc2ccccc2)CC1)c1ccc([Ge]OOO)cc1
InChIInChI=1S/C21H27GeN3O4/c1-23(20-9-7-19(8-10-20)22-28-29-27)21(26)11-12-24-13-15-25(16-14-24)17-18-5-3-2-4-6-18/h2-10,27H,11-17H2,1H3
InChIKeyJMKZYTHXGGTCTQ-UHFFFAOYSA-N
XLogP1.52
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.07
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 88747935
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3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
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N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607

Frequently Asked Questions

What is the IUPAC name of CID 88746072?
The IUPAC name of CID 88746072 (CID 88746072) is not available.
What is the SMILES notation for CID 88746072?
The canonical SMILES for CID 88746072 is CN(C(=O)CCN1CCN(Cc2ccccc2)CC1)c1ccc([Ge]OOO)cc1.
What is the InChIKey of CID 88746072?
The InChIKey is JMKZYTHXGGTCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27GeN3O4/c1-23(20-9-7-19(8-10-20)22-28-29-27)21(26)11-12-24-13-15-25(16-14-24)17-18-5-3-2-4-6-18/h2-10,27H,11-17H2,1H3.
What are the key properties of CID 88746072?
CID 88746072 has a molecular weight of 458.07 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88746072 is sourced from PubChem (CID 88746072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).