N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C14H19F3N2O — CID 62114184

IUPACN-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CCCN)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-2-19(9-3-8-18)13(20)10-11-4-6-12(7-5-11)14(15,16)17/h4-7H,2-3,8-10,18H2,1H3
InChIKeyTZGWSKWSKHBFOY-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds6

About N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 62114184) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID62114184
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CCCN)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-2-19(9-3-8-18)13(20)10-11-4-6-12(7-5-11)14(15,16)17/h4-7H,2-3,8-10,18H2,1H3
InChIKeyTZGWSKWSKHBFOY-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 122692683
N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
CID 115997546
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79648191
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 62114184) is N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CCCN)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZGWSKWSKHBFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-19(9-3-8-18)13(20)10-11-4-6-12(7-5-11)14(15,16)17/h4-7H,2-3,8-10,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 62114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).