N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide

C24H27N3O3 — CID 11618349

IUPACN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide
SMILESCOc1ccc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-30-21-12-8-19(9-13-21)17-27(14-15-28)16-18-6-10-20(11-7-18)24(29)26-23-5-3-2-4-22(23)25/h2-13,28H,14-17,25H2,1H3,(H,26,29)
InChIKeyBUYLPAVIKGRWEV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.52
Rot. Bonds9

About N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide (PubChem CID 11618349) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide
PubChem CID11618349
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide
SMILESCOc1ccc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-30-21-12-8-19(9-13-21)17-27(14-15-28)16-18-6-10-20(11-7-18)24(29)26-23-5-3-2-4-22(23)25/h2-13,28H,14-17,25H2,1H3,(H,26,29)
InChIKeyBUYLPAVIKGRWEV-UHFFFAOYSA-N
XLogP3.52
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide (CID 11618349) is N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide is COc1ccc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide?
The InChIKey is BUYLPAVIKGRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-30-21-12-8-19(9-13-21)17-27(14-15-28)16-18-6-10-20(11-7-18)24(29)26-23-5-3-2-4-22(23)25/h2-13,28H,14-17,25H2,1H3,(H,26,29).
What are the key properties of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 11618349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).