7-azido-N-(4-phenoxyphenyl)heptanamide

C19H22N4O2 — CID 44817914

IUPAC7-azido-N-(4-phenoxyphenyl)heptanamide
SMILES[N-]=[N+]=NCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N4O2/c20-23-21-15-7-2-1-6-10-19(24)22-16-11-13-18(14-12-16)25-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,22,24)
InChIKeyRSXQTNHXWPTEQG-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.68
Rot. Bonds10

About 7-azido-N-(4-phenoxyphenyl)heptanamide

7-azido-N-(4-phenoxyphenyl)heptanamide (PubChem CID 44817914) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-azido-N-(4-phenoxyphenyl)heptanamide.

Molecular Properties

Compound Name7-azido-N-(4-phenoxyphenyl)heptanamide
PubChem CID44817914
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name7-azido-N-(4-phenoxyphenyl)heptanamide
SMILES[N-]=[N+]=NCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H22N4O2/c20-23-21-15-7-2-1-6-10-19(24)22-16-11-13-18(14-12-16)25-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,22,24)
InChIKeyRSXQTNHXWPTEQG-UHFFFAOYSA-N
XLogP5.68
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.68
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
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 7-azido-N-(4-phenoxyphenyl)heptanamide?
The IUPAC name of 7-azido-N-(4-phenoxyphenyl)heptanamide (CID 44817914) is 7-azido-N-(4-phenoxyphenyl)heptanamide.
What is the SMILES notation for 7-azido-N-(4-phenoxyphenyl)heptanamide?
The canonical SMILES for 7-azido-N-(4-phenoxyphenyl)heptanamide is [N-]=[N+]=NCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 7-azido-N-(4-phenoxyphenyl)heptanamide?
The InChIKey is RSXQTNHXWPTEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-23-21-15-7-2-1-6-10-19(24)22-16-11-13-18(14-12-16)25-17-8-4-3-5-9-17/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,22,24).
What are the key properties of 7-azido-N-(4-phenoxyphenyl)heptanamide?
7-azido-N-(4-phenoxyphenyl)heptanamide has a molecular weight of 338.41 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-N-(4-phenoxyphenyl)heptanamide is sourced from PubChem (CID 44817914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).