N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide

C22H23N3O3 — CID 22478837

IUPACN-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyUTFXJOLZTVTKET-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.15
Rot. Bonds7

About N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide

N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide (PubChem CID 22478837) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide
PubChem CID22478837
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyUTFXJOLZTVTKET-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Ecabapide
CID 65885
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 23648261
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide
CID 11618349
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 11690271
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
N-[5-(3-Dimethylamino-benzoylamino)-2-methyl-phenyl]-3,4-dimethoxy-benzamide
CID 23443327
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide (CID 22478837) is N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide is COc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC.
What is the InChIKey of N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]benzamide?
The InChIKey is UTFXJOLZTVTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-12-7-15(13-21(20)28-2)14-24-17-10-8-16(9-11-17)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-dimethoxyphenyl)methylamino]benzamide?
N-(2-aminophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]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-dimethoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 22478837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).