2-(4-aminophenyl)-N,N-dibutylacetamide

C16H26N2O — CID 28982323

IUPAC2-(4-aminophenyl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-3-5-11-18(12-6-4-2)16(19)13-14-7-9-15(17)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyZDRYJLCQQFTZLW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.24
Rot. Bonds8

About 2-(4-aminophenyl)-N,N-dibutylacetamide

2-(4-aminophenyl)-N,N-dibutylacetamide (PubChem CID 28982323) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,N-dibutylacetamide
PubChem CID28982323
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-aminophenyl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-3-5-11-18(12-6-4-2)16(19)13-14-7-9-15(17)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3
InChIKeyZDRYJLCQQFTZLW-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N-dibutylacetamide 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-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744178
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
CID 119783780
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
CID 62498199
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,N-dibutylacetamide?
The IUPAC name of 2-(4-aminophenyl)-N,N-dibutylacetamide (CID 28982323) is 2-(4-aminophenyl)-N,N-dibutylacetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,N-dibutylacetamide?
The canonical SMILES for 2-(4-aminophenyl)-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N,N-dibutylacetamide?
The InChIKey is ZDRYJLCQQFTZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-11-18(12-6-4-2)16(19)13-14-7-9-15(17)10-8-14/h7-10H,3-6,11-13,17H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-N,N-dibutylacetamide?
2-(4-aminophenyl)-N,N-dibutylacetamide has a molecular weight of 262.40 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,N-dibutylacetamide is sourced from PubChem (CID 28982323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).