2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide

C22H21N3O2 — CID 3643695

IUPAC2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-2-21(27-20-11-7-4-8-12-20)22(26)23-17-13-15-19(16-14-17)25-24-18-9-5-3-6-10-18/h3-16,21H,2H2,1H3,(H,23,26)/b25-24+
InChIKeyMTKOJLZPTQTVLT-OCOZRVBESA-N
MW359.43 g/mol
LogP5.90
Rot. Bonds7

About 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide

2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide (PubChem CID 3643695) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
PubChem CID3643695
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c1-2-21(27-20-11-7-4-8-12-20)22(26)23-17-13-15-19(16-14-17)25-24-18-9-5-3-6-10-18/h3-16,21H,2H2,1H3,(H,23,26)/b25-24+
InChIKeyMTKOJLZPTQTVLT-OCOZRVBESA-N
XLogP5.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-[4-(2-ethoxyethoxy)phenyl]-2-phenoxybutanamide
CID 17130611
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066992
(2R)-2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 41491672
N-[4-(3-methylbutoxy)phenyl]-2-phenoxybutanamide
CID 4949910
(2S)-N-(3,5-difluorophenyl)-2-phenoxybutanamide
CID 7369079
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2R)-2-phenoxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 7409300

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide?
The IUPAC name of 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide (CID 3643695) is 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide.
What is the SMILES notation for 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide?
The canonical SMILES for 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide?
The InChIKey is MTKOJLZPTQTVLT-OCOZRVBESA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-21(27-20-11-7-4-8-12-20)22(26)23-17-13-15-19(16-14-17)25-24-18-9-5-3-6-10-18/h3-16,21H,2H2,1H3,(H,23,26)/b25-24+.
What are the key properties of 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide?
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide has a molecular weight of 359.43 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide is sourced from PubChem (CID 3643695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).