3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide

C22H21N5O2 — CID 55342078

IUPAC3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H21N5O2/c28-21(15-16-23-22(29)25-17-7-3-1-4-8-17)24-18-11-13-20(14-12-18)27-26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H,24,28)(H2,23,25,29)/b27-26+
InChIKeyHFKZIKBLBIPNNA-CYYJNZCTSA-N
MW387.44 g/mol
LogP5.25
Rot. Bonds7

About 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide

3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide (PubChem CID 55342078) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
PubChem CID55342078
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H21N5O2/c28-21(15-16-23-22(29)25-17-7-3-1-4-8-17)24-18-11-13-20(14-12-18)27-26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H,24,28)(H2,23,25,29)/b27-26+
InChIKeyHFKZIKBLBIPNNA-CYYJNZCTSA-N
XLogP5.25
TPSA94.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.25
H-Bond Donors ≤ 53
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

3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
phenyl N-[3-oxo-3-(4-phenyldiazenylanilino)propyl]carbamate
CID 126010634
3-acetamido-N-phenylpropanamide
CID 7946185
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
N'-(4-phenyldiazenylphenyl)-N-(3-triethoxysilylpropyl)pentanediamide
CID 102049363
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616

Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide?
The IUPAC name of 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide (CID 55342078) is 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide.
What is the SMILES notation for 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide?
The canonical SMILES for 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide is O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide?
The InChIKey is HFKZIKBLBIPNNA-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-21(15-16-23-22(29)25-17-7-3-1-4-8-17)24-18-11-13-20(14-12-18)27-26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H,24,28)(H2,23,25,29)/b27-26+.
What are the key properties of 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide?
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide has a molecular weight of 387.44 g/mol, XLogP of 5.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide is sourced from PubChem (CID 55342078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).