N-phenazin-2-ylbutanamide

C16H15N3O — CID 73349412

IUPACN-phenazin-2-ylbutanamide
SMILESCCCC(=O)Nc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C16H15N3O/c1-2-5-16(20)17-11-8-9-14-15(10-11)19-13-7-4-3-6-12(13)18-14/h3-4,6-10H,2,5H2,1H3,(H,17,20)
InChIKeyPKEQOMWQTRJSKO-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.52
Rot. Bonds3

About N-phenazin-2-ylbutanamide

N-phenazin-2-ylbutanamide (PubChem CID 73349412) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-phenazin-2-ylbutanamide.

Molecular Properties

Compound NameN-phenazin-2-ylbutanamide
PubChem CID73349412
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-phenazin-2-ylbutanamide
SMILESCCCC(=O)Nc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C16H15N3O/c1-2-5-16(20)17-11-8-9-14-15(10-11)19-13-7-4-3-6-12(13)18-14/h3-4,6-10H,2,5H2,1H3,(H,17,20)
InChIKeyPKEQOMWQTRJSKO-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylquinoxalin-6-yl)butanamide
CID 154505426
N-(1,3-benzoxazol-6-yl)butanamide
CID 110728829
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N,N'-di(acridin-2-yl)hexanediamide
CID 15711228
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
N-isoquinolin-6-ylbutanamide
CID 118007953
3-(butanoylamino)benzoate
CID 5092431
N-(2-phenylbenzotriazol-5-yl)pentanamide
CID 17219676
N-(2-methylquinoxalin-6-yl)pentadecanamide
CID 44611336

Frequently Asked Questions

What is the IUPAC name of N-phenazin-2-ylbutanamide?
The IUPAC name of N-phenazin-2-ylbutanamide (CID 73349412) is N-phenazin-2-ylbutanamide.
What is the SMILES notation for N-phenazin-2-ylbutanamide?
The canonical SMILES for N-phenazin-2-ylbutanamide is CCCC(=O)Nc1ccc2nc3ccccc3nc2c1.
What is the InChIKey of N-phenazin-2-ylbutanamide?
The InChIKey is PKEQOMWQTRJSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-5-16(20)17-11-8-9-14-15(10-11)19-13-7-4-3-6-12(13)18-14/h3-4,6-10H,2,5H2,1H3,(H,17,20).
What are the key properties of N-phenazin-2-ylbutanamide?
N-phenazin-2-ylbutanamide has a molecular weight of 265.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenazin-2-ylbutanamide is sourced from PubChem (CID 73349412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).