6-azido-N-(4-phenoxyphenyl)hexanamide

C18H20N4O2 — CID 42612296

IUPAC6-azido-N-(4-phenoxyphenyl)hexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N4O2/c19-22-20-14-6-2-5-9-18(23)21-15-10-12-17(13-11-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23)
InChIKeyQKRBRDQBHIGGFN-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.29
Rot. Bonds9

About 6-azido-N-(4-phenoxyphenyl)hexanamide

6-azido-N-(4-phenoxyphenyl)hexanamide (PubChem CID 42612296) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-azido-N-(4-phenoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-azido-N-(4-phenoxyphenyl)hexanamide
PubChem CID42612296
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-azido-N-(4-phenoxyphenyl)hexanamide
SMILES[N-]=[N+]=NCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H20N4O2/c19-22-20-14-6-2-5-9-18(23)21-15-10-12-17(13-11-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23)
InChIKeyQKRBRDQBHIGGFN-UHFFFAOYSA-N
XLogP5.29
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
9-azido-N-(2-phenoxyphenyl)nonanamide
CID 44817919
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
[7-oxo-7-(4-phenoxyanilino)heptyl]boronic acid
CID 42637224
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
12-azido-N-benzyldodecanamide
CID 19611794
6-azido-N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]hexanamide
CID 166172986
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
5-[4-(4-aminophenoxy)anilino]-5-oxopentanoic acid
CID 18877669

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-(4-phenoxyphenyl)hexanamide?
The IUPAC name of 6-azido-N-(4-phenoxyphenyl)hexanamide (CID 42612296) is 6-azido-N-(4-phenoxyphenyl)hexanamide.
What is the SMILES notation for 6-azido-N-(4-phenoxyphenyl)hexanamide?
The canonical SMILES for 6-azido-N-(4-phenoxyphenyl)hexanamide is [N-]=[N+]=NCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 6-azido-N-(4-phenoxyphenyl)hexanamide?
The InChIKey is QKRBRDQBHIGGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-22-20-14-6-2-5-9-18(23)21-15-10-12-17(13-11-15)24-16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14H2,(H,21,23).
What are the key properties of 6-azido-N-(4-phenoxyphenyl)hexanamide?
6-azido-N-(4-phenoxyphenyl)hexanamide has a molecular weight of 324.38 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-(4-phenoxyphenyl)hexanamide is sourced from PubChem (CID 42612296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).