N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide

C19H21F3N2O2 — CID 162546886

IUPACN-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide
SMILESO=C(CO)N(CCN(Cc1ccccc1)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)24(14-17-9-5-2-6-10-17)12-11-23(18(26)15-25)13-16-7-3-1-4-8-16/h1-10,25H,11-15H2
InChIKeyMLAMSMSFIAHRGY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.03
Rot. Bonds8

About N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide

N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide (PubChem CID 162546886) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide
PubChem CID162546886
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide
SMILESO=C(CO)N(CCN(Cc1ccccc1)C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)24(14-17-9-5-2-6-10-17)12-11-23(18(26)15-25)13-16-7-3-1-4-8-16/h1-10,25H,11-15H2
InChIKeyMLAMSMSFIAHRGY-UHFFFAOYSA-N
XLogP3.03
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine
CID 67641807
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CID 79191990
N-(3-aminopropyl)-N-benzyl-2-(trifluoromethylsulfanyl)acetamide
CID 120649399
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide?
The IUPAC name of N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide (CID 162546886) is N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide is O=C(CO)N(CCN(Cc1ccccc1)C(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide?
The InChIKey is MLAMSMSFIAHRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)24(14-17-9-5-2-6-10-17)12-11-23(18(26)15-25)13-16-7-3-1-4-8-16/h1-10,25H,11-15H2.
What are the key properties of N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide?
N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide has a molecular weight of 366.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 162546886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).