N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide

C32H43N5O2 — CID 24883370

IUPACN-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
SMILESCc1ccc(CNCCCCNCCCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C32H43N5O2/c1-25-12-14-26(15-13-25)23-35-22-8-7-21-34-20-6-2-3-11-31(38)36-24-27-16-18-28(19-17-27)32(39)37-30-10-5-4-9-29(30)33/h4-5,9-10,12-19,34-35H,2-3,6-8,11,20-24,33H2,1H3,(H,36,38)(H,37,39)
InChIKeyNRSDSNGUEPJHAF-UHFFFAOYSA-N
MW529.73 g/mol
LogP5.17
Rot. Bonds17

About N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide (PubChem CID 24883370) has the molecular formula C32H43N5O2 and a molecular weight of 529.73 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
PubChem CID24883370
Molecular FormulaC32H43N5O2
Molecular Weight529.73 g/mol
Exact Mass529.34
IUPAC NameN-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
SMILESCc1ccc(CNCCCCNCCCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C32H43N5O2/c1-25-12-14-26(15-13-25)23-35-22-8-7-21-34-20-6-2-3-11-31(38)36-24-27-16-18-28(19-17-27)32(39)37-30-10-5-4-9-29(30)33/h4-5,9-10,12-19,34-35H,2-3,6-8,11,20-24,33H2,1H3,(H,36,38)(H,37,39)
InChIKeyNRSDSNGUEPJHAF-UHFFFAOYSA-N
XLogP5.17
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 55.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]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

Related Compounds

N'-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[3-[4-(3,3-diphenylpropylamino)butylamino]propyl]octanediamide
CID 24854436
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-4-[[[(E)-2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]methyl]benzamide
CID 25265023
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-(2-aminophenyl)-4-[[(2-cyclopent-2-en-1-ylacetyl)amino]methyl]benzamide
CID 10337895

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide (CID 24883370) is N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide is Cc1ccc(CNCCCCNCCCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide?
The InChIKey is NRSDSNGUEPJHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O2/c1-25-12-14-26(15-13-25)23-35-22-8-7-21-34-20-6-2-3-11-31(38)36-24-27-16-18-28(19-17-27)32(39)37-30-10-5-4-9-29(30)33/h4-5,9-10,12-19,34-35H,2-3,6-8,11,20-24,33H2,1H3,(H,36,38)(H,37,39).
What are the key properties of N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide has a molecular weight of 529.73 g/mol, XLogP of 5.17, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide is sourced from PubChem (CID 24883370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).