N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide

C26H28N4O2 — CID 11626094

IUPACN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide
SMILESCn1cc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-29-17-21(22-6-2-5-9-25(22)29)18-30(14-15-31)16-19-10-12-20(13-11-19)26(32)28-24-8-4-3-7-23(24)27/h2-13,17,31H,14-16,18,27H2,1H3,(H,28,32)
InChIKeyUXEFDLRMLZCVDQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.01
Rot. Bonds8

About N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide (PubChem CID 11626094) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide
PubChem CID11626094
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide
SMILESCn1cc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc21
InChIInChI=1S/C26H28N4O2/c1-29-17-21(22-6-2-5-9-25(22)29)18-30(14-15-31)16-19-10-12-20(13-11-19)26(32)28-24-8-4-3-7-23(24)27/h2-13,17,31H,14-16,18,27H2,1H3,(H,28,32)
InChIKeyUXEFDLRMLZCVDQ-UHFFFAOYSA-N
XLogP4.01
TPSA83.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.01
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-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide (CID 11626094) is N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide is Cn1cc(CN(CCO)Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide?
The InChIKey is UXEFDLRMLZCVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29-17-21(22-6-2-5-9-25(22)29)18-30(14-15-31)16-19-10-12-20(13-11-19)26(32)28-24-8-4-3-7-23(24)27/h2-13,17,31H,14-16,18,27H2,1H3,(H,28,32).
What are the key properties of N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[2-hydroxyethyl-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.01, 8 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-[(1-methylindol-3-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 11626094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).