CID 70149515

C24H32N4NaO2 — CID 70149515

IUPAC—
SMILESCCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[Na]
InChIInChI=1S/C24H32N4O2.Na/c1-5-18-15-20(19-11-9-10-17(2)14-19)21(29)16-22(18)30-13-8-6-7-12-24(3,4)23-25-27-28-26-23;/h9-11,14-16,29H,5-8,12-13H2,1-4H3,(H,25,26,27,28);
InChIKeyFSQNEQVZRVUBKC-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.98
Rot. Bonds10

About CID 70149515

CID 70149515 (PubChem CID 70149515) has the molecular formula C24H32N4NaO2 and a molecular weight of 431.54 g/mol.

Molecular Properties

Compound NameCID 70149515
PubChem CID70149515
Molecular FormulaC24H32N4NaO2
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name—
SMILESCCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[Na]
InChIInChI=1S/C24H32N4O2.Na/c1-5-18-15-20(19-11-9-10-17(2)14-19)21(29)16-22(18)30-13-8-6-7-12-24(3,4)23-25-27-28-26-23;/h9-11,14-16,29H,5-8,12-13H2,1-4H3,(H,25,26,27,28);
InChIKeyFSQNEQVZRVUBKC-UHFFFAOYSA-N
XLogP4.98
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 70149515?
The IUPAC name of CID 70149515 (CID 70149515) is not available.
What is the SMILES notation for CID 70149515?
The canonical SMILES for CID 70149515 is CCc1cc(-c2cccc(C)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[Na].
What is the InChIKey of CID 70149515?
The InChIKey is FSQNEQVZRVUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.Na/c1-5-18-15-20(19-11-9-10-17(2)14-19)21(29)16-22(18)30-13-8-6-7-12-24(3,4)23-25-27-28-26-23;/h9-11,14-16,29H,5-8,12-13H2,1-4H3,(H,25,26,27,28);.
What are the key properties of CID 70149515?
CID 70149515 has a molecular weight of 431.54 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70149515 is sourced from PubChem (CID 70149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).