N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide

C22H23N3O2 — CID 22478761

IUPACN-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-13-18(27-2)11-12-20(15)24-14-16-7-9-17(10-8-16)22(26)25-21-6-4-3-5-19(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyGLGKWPJCWZHIIU-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.45
Rot. Bonds6

About N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide

N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide (PubChem CID 22478761) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
PubChem CID22478761
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C22H23N3O2/c1-15-13-18(27-2)11-12-20(15)24-14-16-7-9-17(10-8-16)22(26)25-21-6-4-3-5-19(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyGLGKWPJCWZHIIU-UHFFFAOYSA-N
XLogP4.45
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155565261
N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfinylmethyl]benzamide
CID 58926774
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
3-(aminomethyl)-N-(2-aminophenyl)-4-(benzylamino)benzamide
CID 134546834
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-amino-4-methoxyphenyl)naphthalene-2-carboxamide
CID 16775616
N-(2-aminophenyl)-4-[(6-methoxy-1-methylbenzimidazol-2-yl)sulfanylmethyl]benzamide;ethane
CID 143508693
N-(2-aminophenyl)-4-[(5-methoxy-2-sulfanylidene-3H-benzimidazol-1-yl)methyl]benzamide
CID 11682859

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide (CID 22478761) is N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide is COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide?
The InChIKey is GLGKWPJCWZHIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-13-18(27-2)11-12-20(15)24-14-16-7-9-17(10-8-16)22(26)25-21-6-4-3-5-19(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26).
What are the key properties of N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide?
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide is sourced from PubChem (CID 22478761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).