9-azido-N-(4-phenoxyphenyl)nonanamide

C21H26N4O2 — CID 44817916

IUPAC9-azido-N-(4-phenoxyphenyl)nonanamide
SMILES[N-]=[N+]=NCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H26N4O2/c22-25-23-17-9-4-2-1-3-8-12-21(26)24-18-13-15-20(16-14-18)27-19-10-6-5-7-11-19/h5-7,10-11,13-16H,1-4,8-9,12,17H2,(H,24,26)
InChIKeyJINRNVSXZVISHM-UHFFFAOYSA-N
MW366.47 g/mol
LogP6.46
Rot. Bonds12

About 9-azido-N-(4-phenoxyphenyl)nonanamide

9-azido-N-(4-phenoxyphenyl)nonanamide (PubChem CID 44817916) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 9-azido-N-(4-phenoxyphenyl)nonanamide.

Molecular Properties

Compound Name9-azido-N-(4-phenoxyphenyl)nonanamide
PubChem CID44817916
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name9-azido-N-(4-phenoxyphenyl)nonanamide
SMILES[N-]=[N+]=NCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H26N4O2/c22-25-23-17-9-4-2-1-3-8-12-21(26)24-18-13-15-20(16-14-18)27-19-10-6-5-7-11-19/h5-7,10-11,13-16H,1-4,8-9,12,17H2,(H,24,26)
InChIKeyJINRNVSXZVISHM-UHFFFAOYSA-N
XLogP6.46
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 56.46
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

6-azido-N-(4-phenoxyphenyl)hexanamide
CID 42612296
7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
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 9-azido-N-(4-phenoxyphenyl)nonanamide?
The IUPAC name of 9-azido-N-(4-phenoxyphenyl)nonanamide (CID 44817916) is 9-azido-N-(4-phenoxyphenyl)nonanamide.
What is the SMILES notation for 9-azido-N-(4-phenoxyphenyl)nonanamide?
The canonical SMILES for 9-azido-N-(4-phenoxyphenyl)nonanamide is [N-]=[N+]=NCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 9-azido-N-(4-phenoxyphenyl)nonanamide?
The InChIKey is JINRNVSXZVISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-25-23-17-9-4-2-1-3-8-12-21(26)24-18-13-15-20(16-14-18)27-19-10-6-5-7-11-19/h5-7,10-11,13-16H,1-4,8-9,12,17H2,(H,24,26).
What are the key properties of 9-azido-N-(4-phenoxyphenyl)nonanamide?
9-azido-N-(4-phenoxyphenyl)nonanamide has a molecular weight of 366.47 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azido-N-(4-phenoxyphenyl)nonanamide is sourced from PubChem (CID 44817916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).