N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide

C36H38N8O2 — CID 10371603

IUPACN-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12
InChIInChI=1S/C36H38N8O2/c1-21-11-13-23(3)31-29(21)41-27-9-5-7-25(33(27)43-31)35(45)39-19-17-37-15-16-38-18-20-40-36(46)26-8-6-10-28-34(26)44-32-24(4)14-12-22(2)30(32)42-28/h5-14,37-38H,15-20H2,1-4H3,(H,39,45)(H,40,46)
InChIKeyOZXKYFCRFMKKAX-UHFFFAOYSA-N
MW614.75 g/mol
LogP4.45
Rot. Bonds11

About N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide

N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide (PubChem CID 10371603) has the molecular formula C36H38N8O2 and a molecular weight of 614.75 g/mol. Its IUPAC name is N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide
PubChem CID10371603
Molecular FormulaC36H38N8O2
Molecular Weight614.75 g/mol
Exact Mass614.31
IUPAC NameN-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide
SMILESCc1ccc(C)c2nc3c(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12
InChIInChI=1S/C36H38N8O2/c1-21-11-13-23(3)31-29(21)41-27-9-5-7-25(33(27)43-31)35(45)39-19-17-37-15-16-38-18-20-40-36(46)26-8-6-10-28-34(26)44-32-24(4)14-12-22(2)30(32)42-28/h5-14,37-38H,15-20H2,1-4H3,(H,39,45)(H,40,46)
InChIKeyOZXKYFCRFMKKAX-UHFFFAOYSA-N
XLogP4.45
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.75
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide?
The IUPAC name of N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide (CID 10371603) is N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide?
The canonical SMILES for N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide is Cc1ccc(C)c2nc3c(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12.
What is the InChIKey of N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide?
The InChIKey is OZXKYFCRFMKKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N8O2/c1-21-11-13-23(3)31-29(21)41-27-9-5-7-25(33(27)43-31)35(45)39-19-17-37-15-16-38-18-20-40-36(46)26-8-6-10-28-34(26)44-32-24(4)14-12-22(2)30(32)42-28/h5-14,37-38H,15-20H2,1-4H3,(H,39,45)(H,40,46).
What are the key properties of N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide?
N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide has a molecular weight of 614.75 g/mol, XLogP of 4.45, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide is sourced from PubChem (CID 10371603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).