9-azido-N-(2-phenoxyphenyl)nonanamide

C21H26N4O2 — CID 44817919

IUPAC9-azido-N-(2-phenoxyphenyl)nonanamide
SMILES[N-]=[N+]=NCCCCCCCCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H26N4O2/c22-25-23-17-11-4-2-1-3-8-16-21(26)24-19-14-9-10-15-20(19)27-18-12-6-5-7-13-18/h5-7,9-10,12-15H,1-4,8,11,16-17H2,(H,24,26)
InChIKeyPNFLMLKEHWJOJA-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.46
Rot. Bonds12

About 9-azido-N-(2-phenoxyphenyl)nonanamide

9-azido-N-(2-phenoxyphenyl)nonanamide (PubChem CID 44817919) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 9-azido-N-(2-phenoxyphenyl)nonanamide.

Molecular Properties

Compound Name9-azido-N-(2-phenoxyphenyl)nonanamide
PubChem CID44817919
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name9-azido-N-(2-phenoxyphenyl)nonanamide
SMILES[N-]=[N+]=NCCCCCCCCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H26N4O2/c22-25-23-17-11-4-2-1-3-8-16-21(26)24-19-14-9-10-15-20(19)27-18-12-6-5-7-13-18/h5-7,9-10,12-15H,1-4,8,11,16-17H2,(H,24,26)
InChIKeyPNFLMLKEHWJOJA-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 ≤ 500366.46
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-(4-phenoxyphenyl)nonanamide
CID 44817916
N-(2-phenoxyphenyl)decanamide
CID 4091110
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
12-azido-N-benzyldodecanamide
CID 19611794
2,2,2-trifluoroethyl N-[3-oxo-3-(2-phenoxyanilino)propyl]carbamate
CID 52730821
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122

Frequently Asked Questions

What is the IUPAC name of 9-azido-N-(2-phenoxyphenyl)nonanamide?
The IUPAC name of 9-azido-N-(2-phenoxyphenyl)nonanamide (CID 44817919) is 9-azido-N-(2-phenoxyphenyl)nonanamide.
What is the SMILES notation for 9-azido-N-(2-phenoxyphenyl)nonanamide?
The canonical SMILES for 9-azido-N-(2-phenoxyphenyl)nonanamide is [N-]=[N+]=NCCCCCCCCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 9-azido-N-(2-phenoxyphenyl)nonanamide?
The InChIKey is PNFLMLKEHWJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-25-23-17-11-4-2-1-3-8-16-21(26)24-19-14-9-10-15-20(19)27-18-12-6-5-7-13-18/h5-7,9-10,12-15H,1-4,8,11,16-17H2,(H,24,26).
What are the key properties of 9-azido-N-(2-phenoxyphenyl)nonanamide?
9-azido-N-(2-phenoxyphenyl)nonanamide has a molecular weight of 366.46 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-(2-phenoxyphenyl)nonanamide is sourced from PubChem (CID 44817919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).