methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate

C25H26N4O3 — CID 10960972

IUPACmethyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(/N=N/N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H26N4O3/c1-19(25(31)32-2)26-24(30)22-13-15-23(16-14-22)27-28-29(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3,(H,26,30)/b28-27+
InChIKeySCFOCGQLLYTTFK-BYYHNAKLSA-N
MW430.51 g/mol
LogP4.68
Rot. Bonds9

About methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate

methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate (PubChem CID 10960972) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate
PubChem CID10960972
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Namemethyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(/N=N/N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H26N4O3/c1-19(25(31)32-2)26-24(30)22-13-15-23(16-14-22)27-28-29(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3,(H,26,30)/b28-27+
InChIKeySCFOCGQLLYTTFK-BYYHNAKLSA-N
XLogP4.68
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate 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

methyl (2S)-2-[[4-[[4-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoate
CID 122226545
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
CID 7996479
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
propyl 2-benzamidopropanoate
CID 71628004
prop-2-enyl 2-benzamidopropanoate
CID 2910482
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
butyl (2S)-2-benzamidopropanoate
CID 14654754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate?
The IUPAC name of methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate (CID 10960972) is methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(/N=N/N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate?
The InChIKey is SCFOCGQLLYTTFK-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-19(25(31)32-2)26-24(30)22-13-15-23(16-14-22)27-28-29(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3,(H,26,30)/b28-27+.
What are the key properties of methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate?
methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate has a molecular weight of 430.51 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(dibenzylamino)diazenyl]benzoyl]amino]propanoate is sourced from PubChem (CID 10960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).