N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide

C22H23N3O3 — CID 15984110

IUPACN-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyLMZMJYFRBVPBFO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.15
Rot. Bonds7

About N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide

N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide (PubChem CID 15984110) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
PubChem CID15984110
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyLMZMJYFRBVPBFO-UHFFFAOYSA-N
XLogP4.15
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide (CID 15984110) is N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide is COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC.
What is the InChIKey of N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
The InChIKey is LMZMJYFRBVPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26).
What are the key properties of N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide?
N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3,4-dimethoxyanilino)methyl]benzamide is sourced from PubChem (CID 15984110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).