2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide

C15H21F3N2O3 — CID 136572531

IUPAC2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCOCC(=O)Nc1ccc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3/c1-2-3-8-23-10-14(22)20-11-4-5-13(19-6-7-21)12(9-11)15(16,17)18/h4-5,9,19,21H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyZURBAUMOQRFXNO-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.86
Rot. Bonds9

About 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide

2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 136572531) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID136572531
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCCCOCC(=O)Nc1ccc(NCCO)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O3/c1-2-3-8-23-10-14(22)20-11-4-5-13(19-6-7-21)12(9-11)15(16,17)18/h4-5,9,19,21H,2-3,6-8,10H2,1H3,(H,20,22)
InChIKeyZURBAUMOQRFXNO-UHFFFAOYSA-N
XLogP2.86
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]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

N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-methoxypropoxy)acetamide
CID 60919077
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 136572532
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
N-(3-butoxypropyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108506520
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87043030
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
2-[4-acetamido-2-(trifluoromethyl)anilino]-N-(4-bromophenyl)acetamide
CID 31418044
tert-butyl N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]carbamate
CID 167964651

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide (CID 136572531) is 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide is CCCCOCC(=O)Nc1ccc(NCCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZURBAUMOQRFXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-2-3-8-23-10-14(22)20-11-4-5-13(19-6-7-21)12(9-11)15(16,17)18/h4-5,9,19,21H,2-3,6-8,10H2,1H3,(H,20,22).
What are the key properties of 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide?
2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-(2-hydroxyethylamino)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136572531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).