N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide

C18H20N4O2 — CID 11573375

IUPACN-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1
InChIInChI=1S/C18H20N4O2/c1-22(2)9-8-19-18(23)13-10-12(24-3)11-16-17(13)21-15-7-5-4-6-14(15)20-16/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyZTJBYKGGWSKWRR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide (PubChem CID 11573375) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide
PubChem CID11573375
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide
SMILESCOc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1
InChIInChI=1S/C18H20N4O2/c1-22(2)9-8-19-18(23)13-10-12(24-3)11-16-17(13)21-15-7-5-4-6-14(15)20-16/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyZTJBYKGGWSKWRR-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide (CID 11573375) is N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide is COc1cc(C(=O)NCCN(C)C)c2nc3ccccc3nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide?
The InChIKey is ZTJBYKGGWSKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(2)9-8-19-18(23)13-10-12(24-3)11-16-17(13)21-15-7-5-4-6-14(15)20-16/h4-7,10-11H,8-9H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methoxyphenazine-1-carboxamide is sourced from PubChem (CID 11573375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).