(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide

C24H26N6 — CID 139200083

IUPAC(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide
SMILESCC(C)(C)/N=C(\Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C24H26N6/c1-24(2,3)28-23(27-19-14-8-5-9-15-19)22(26-18-12-6-4-7-13-18)20-16-10-11-17-21(20)29-30-25/h4-17,22,26H,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyMNQGAHIPIPDSEA-QFIPXVFZSA-N
MW398.51 g/mol
LogP7.09
Rot. Bonds6

About (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide

(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide (PubChem CID 139200083) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide.

Molecular Properties

Compound Name(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide
PubChem CID139200083
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide
SMILESCC(C)(C)/N=C(\Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1N=[N+]=[N-]
InChIInChI=1S/C24H26N6/c1-24(2,3)28-23(27-19-14-8-5-9-15-19)22(26-18-12-6-4-7-13-18)20-16-10-11-17-21(20)29-30-25/h4-17,22,26H,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyMNQGAHIPIPDSEA-QFIPXVFZSA-N
XLogP7.09
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-azidophenyl)but-2-yn-1-ol
CID 45257499
2-[(2-azidophenyl)-(5-tert-butylfuran-2-yl)methyl]-5-tert-butylfuran
CID 73335975
N-(2-azidophenyl)-2,2-dimethylpropanamide
CID 151208886
1-[(2-azidobenzoyl)amino]-3-phenylurea
CID 169326511
1-azido-2-[methoxy(methylsulfanyl)methyl]benzene
CID 71530957
N'-tert-butyl-2-(4-methoxyanilino)-N-(4-methoxyphenyl)-4-phenylbutanimidamide
CID 102492662
N-(2-azidophenyl)acetamide
CID 91902655
N-(2-azidophenyl)-2-methylpropanamide
CID 152547444
4-azido-1-(2-azidophenyl)butane-1,2-diol
CID 171879603
1-[(2-azidophenyl)methyl]-2-phenylhydrazine
CID 169386568
1-azido-2-iodo-3-methylbenzene
CID 54204853
1-azido-2-methylbenzene;dichloromethane
CID 174936833

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide?
The IUPAC name of (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide (CID 139200083) is (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide.
What is the SMILES notation for (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide?
The canonical SMILES for (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide is CC(C)(C)/N=C(\Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1N=[N+]=[N-].
What is the InChIKey of (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide?
The InChIKey is MNQGAHIPIPDSEA-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N6/c1-24(2,3)28-23(27-19-14-8-5-9-15-19)22(26-18-12-6-4-7-13-18)20-16-10-11-17-21(20)29-30-25/h4-17,22,26H,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide?
(2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide has a molecular weight of 398.51 g/mol, XLogP of 7.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-2-(2-azidophenyl)-N'-tert-butyl-N-phenylethanimidamide is sourced from PubChem (CID 139200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).