[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate

C24H26N4O2 — CID 152581011

IUPAC[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate
SMILESCC(=O)OCC(Nc1ccc(C=NN)cc1)c1cc(C)cc(-c2cccc(N)c2)c1
InChIInChI=1S/C24H26N4O2/c1-16-10-20(19-4-3-5-22(25)13-19)12-21(11-16)24(15-30-17(2)29)28-23-8-6-18(7-9-23)14-27-26/h3-14,24,28H,15,25-26H2,1-2H3
InChIKeyYTLXQRCGOMFRIH-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.25
Rot. Bonds7

About [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate

[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate (PubChem CID 152581011) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate.

Molecular Properties

Compound Name[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate
PubChem CID152581011
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate
SMILESCC(=O)OCC(Nc1ccc(C=NN)cc1)c1cc(C)cc(-c2cccc(N)c2)c1
InChIInChI=1S/C24H26N4O2/c1-16-10-20(19-4-3-5-22(25)13-19)12-21(11-16)24(15-30-17(2)29)28-23-8-6-18(7-9-23)14-27-26/h3-14,24,28H,15,25-26H2,1-2H3
InChIKeyYTLXQRCGOMFRIH-UHFFFAOYSA-N
XLogP4.25
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-cyanoanilino)acetate
CID 22039840
[2-(4-cyanoanilino)-2-(3-cyclopentyloxy-5-methylphenyl)ethyl] acetate
CID 150784043
3-(3-amino-5-methylphenyl)benzaldehyde
CID 165490031
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
3-amino-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 110512312
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
[4-(3-aminophenyl)phenyl] acetate
CID 68785053
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl 3-amino-3-[3-(2,6-dimethylphenyl)-5-methylphenyl]propanoate
CID 175002644
(4-methanehydrazonoylphenyl) 3-methylbenzoate
CID 168530479
[2-(4-cyanoanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl] acetate
CID 151696036
[4-(4-methylphenyl)phenyl]methylidenehydrazine
CID 154945808

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate?
The IUPAC name of [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate (CID 152581011) is [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate.
What is the SMILES notation for [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate?
The canonical SMILES for [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate is CC(=O)OCC(Nc1ccc(C=NN)cc1)c1cc(C)cc(-c2cccc(N)c2)c1.
What is the InChIKey of [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate?
The InChIKey is YTLXQRCGOMFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-10-20(19-4-3-5-22(25)13-19)12-21(11-16)24(15-30-17(2)29)28-23-8-6-18(7-9-23)14-27-26/h3-14,24,28H,15,25-26H2,1-2H3.
What are the key properties of [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate?
[2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate has a molecular weight of 402.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-aminophenyl)-5-methylphenyl]-2-(4-methanehydrazonoylanilino)ethyl] acetate is sourced from PubChem (CID 152581011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).