phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate

C22H20N4O3 — CID 126010634

IUPACphenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
SMILESO=C(CCNC(=O)Oc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c27-21(15-16-23-22(28)29-20-9-5-2-6-10-20)24-17-11-13-19(14-12-17)26-25-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,28)(H,24,27)/b26-25+
InChIKeyWGSUTBQQAHTIAE-OCEACIFDSA-N
MW388.43 g/mol
LogP5.22
Rot. Bonds7

About phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate

phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate (PubChem CID 126010634) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
PubChem CID126010634
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namephenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
SMILESO=C(CCNC(=O)Oc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H20N4O3/c27-21(15-16-23-22(28)29-20-9-5-2-6-10-20)24-17-11-13-19(14-12-17)26-25-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,28)(H,24,27)/b26-25+
InChIKeyWGSUTBQQAHTIAE-OCEACIFDSA-N
XLogP5.22
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide
CID 102049363
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
benzyl N-[3-oxo-3-(4-phenylanilino)propyl]carbamate
CID 126005165
phenyl N-[3-(cyclohexylamino)-3-oxopropyl]carbamate
CID 1131242
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
benzyl N-[3-(4-bromoanilino)-3-oxopropyl]carbamate
CID 165430807
phenyl N-phenyldiazenylcarbamate
CID 137286492
3-acetamido-N-phenylpropanamide
CID 7946185

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate?
The IUPAC name of phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate (CID 126010634) is phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate.
What is the SMILES notation for phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate?
The canonical SMILES for phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate is O=C(CCNC(=O)Oc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate?
The InChIKey is WGSUTBQQAHTIAE-OCEACIFDSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(15-16-23-22(28)29-20-9-5-2-6-10-20)24-17-11-13-19(14-12-17)26-25-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,28)(H,24,27)/b26-25+.
What are the key properties of phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate?
phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate has a molecular weight of 388.43 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate is sourced from PubChem (CID 126010634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).