2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide

C20H23N3O — CID 14896603

IUPAC2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C20H23N3O/c1-3-5-7-14(4-2)20(24)23-17-12-11-16-10-9-15-8-6-13-21-18(15)19(16)22-17/h6,8-14H,3-5,7H2,1-2H3,(H,22,23,24)
InChIKeyQYJHFXYGSQTQDL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.94
Rot. Bonds6

About 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide

2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide (PubChem CID 14896603) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide
PubChem CID14896603
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C20H23N3O/c1-3-5-7-14(4-2)20(24)23-17-12-11-16-10-9-15-8-6-13-21-18(15)19(16)22-17/h6,8-14H,3-5,7H2,1-2H3,(H,22,23,24)
InChIKeyQYJHFXYGSQTQDL-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide?
The IUPAC name of 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide (CID 14896603) is 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide?
The canonical SMILES for 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide is CCCCC(CC)C(=O)Nc1ccc2ccc3cccnc3c2n1.
What is the InChIKey of 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide?
The InChIKey is QYJHFXYGSQTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-5-7-14(4-2)20(24)23-17-12-11-16-10-9-15-8-6-13-21-18(15)19(16)22-17/h6,8-14H,3-5,7H2,1-2H3,(H,22,23,24).
What are the key properties of 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide?
2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide has a molecular weight of 321.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,10-phenanthrolin-2-yl)hexanamide is sourced from PubChem (CID 14896603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).