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

C14H20N4O2 — CID 42612189

IUPAC6-azido-N-(4-ethoxyphenyl)hexanamide
SMILESCCOc1ccc(NC(=O)CCCCCN=[N+]=[N-])cc1
InChIInChI=1S/C14H20N4O2/c1-2-20-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16-18-15/h7-10H,2-6,11H2,1H3,(H,17,19)
InChIKeyAZYWOEZEHFGPTD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.89
Rot. Bonds9

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

6-azido-N-(4-ethoxyphenyl)hexanamide (PubChem CID 42612189) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-azido-N-(4-ethoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-azido-N-(4-ethoxyphenyl)hexanamide
PubChem CID42612189
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-azido-N-(4-ethoxyphenyl)hexanamide
SMILESCCOc1ccc(NC(=O)CCCCCN=[N+]=[N-])cc1
InChIInChI=1S/C14H20N4O2/c1-2-20-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16-18-15/h7-10H,2-6,11H2,1H3,(H,17,19)
InChIKeyAZYWOEZEHFGPTD-UHFFFAOYSA-N
XLogP3.89
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.89
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

N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
6-azido-N-(4-phenoxyphenyl)hexanamide
CID 42612296
7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-azido-N-(4-methylsulfanylphenyl)butanamide
CID 42611968
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036

Frequently Asked Questions

What is the IUPAC name of 6-azido-N-(4-ethoxyphenyl)hexanamide?
The IUPAC name of 6-azido-N-(4-ethoxyphenyl)hexanamide (CID 42612189) is 6-azido-N-(4-ethoxyphenyl)hexanamide.
What is the SMILES notation for 6-azido-N-(4-ethoxyphenyl)hexanamide?
The canonical SMILES for 6-azido-N-(4-ethoxyphenyl)hexanamide is CCOc1ccc(NC(=O)CCCCCN=[N+]=[N-])cc1.
What is the InChIKey of 6-azido-N-(4-ethoxyphenyl)hexanamide?
The InChIKey is AZYWOEZEHFGPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-20-13-9-7-12(8-10-13)17-14(19)6-4-3-5-11-16-18-15/h7-10H,2-6,11H2,1H3,(H,17,19).
What are the key properties of 6-azido-N-(4-ethoxyphenyl)hexanamide?
6-azido-N-(4-ethoxyphenyl)hexanamide has a molecular weight of 276.34 g/mol, XLogP of 3.89, 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-ethoxyphenyl)hexanamide is sourced from PubChem (CID 42612189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).