2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide

C19H24N2O2 — CID 119763496

IUPAC2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
SMILESNc1ccc(CC(=O)NCCCCOCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c20-18-10-8-16(9-11-18)14-19(22)21-12-4-5-13-23-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15,20H2,(H,21,22)
InChIKeyCXRKNRZXCWHOTL-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.92
Rot. Bonds9

About 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide

2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide (PubChem CID 119763496) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
PubChem CID119763496
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide
SMILESNc1ccc(CC(=O)NCCCCOCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c20-18-10-8-16(9-11-18)14-19(22)21-12-4-5-13-23-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15,20H2,(H,21,22)
InChIKeyCXRKNRZXCWHOTL-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide 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

2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
4-(4-phenylbutoxymethyl)aniline
CID 114332885
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831
4-phenylmethoxybutylhydrazine
CID 59281408
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
CID 156757449

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide (CID 119763496) is 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide is Nc1ccc(CC(=O)NCCCCOCc2ccccc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide?
The InChIKey is CXRKNRZXCWHOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-18-10-8-16(9-11-18)14-19(22)21-12-4-5-13-23-15-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15,20H2,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide?
2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide has a molecular weight of 312.41 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-phenylmethoxybutyl)acetamide is sourced from PubChem (CID 119763496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).