2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide

C20H26N2O2 — CID 119759010

IUPAC2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCC(C)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)11-12-24-19-6-4-3-5-17(19)14-22-20(23)13-16-7-9-18(21)10-8-16/h3-10,15H,11-14,21H2,1-2H3,(H,22,23)
InChIKeyNYXRLGASLUEBNH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.55
Rot. Bonds8

About 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide

2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide (PubChem CID 119759010) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
PubChem CID119759010
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
SMILESCC(C)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)11-12-24-19-6-4-3-5-17(19)14-22-20(23)13-16-7-9-18(21)10-8-16/h3-10,15H,11-14,21H2,1-2H3,(H,22,23)
InChIKeyNYXRLGASLUEBNH-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]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-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759011
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262
(2S)-2-amino-N-[[2-(3-methylbutoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119309297
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 60622067
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 60622145
2-(4-aminophenyl)-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]acetamide;hydrochloride
CID 119811607
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide (CID 119759010) is 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide is CC(C)CCOc1ccccc1CNC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
The InChIKey is NYXRLGASLUEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)11-12-24-19-6-4-3-5-17(19)14-22-20(23)13-16-7-9-18(21)10-8-16/h3-10,15H,11-14,21H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide?
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 119759010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).