2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O3 — CID 60957321

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CNCC(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-10-4-3-9(11(5-10)21-2)6-17-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyBPHSZHBPFAQSIT-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.47
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60957321) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60957321
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CNCC(=O)NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-10-4-3-9(11(5-10)21-2)6-17-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19)
InChIKeyBPHSZHBPFAQSIT-UHFFFAOYSA-N
XLogP1.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2,4-dimethoxybenzoate
CID 2436819
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
(2,4-dimethoxyphenyl)methylurea
CID 53362457
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61059017

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60957321) is 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(CNCC(=O)NCC(F)(F)F)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BPHSZHBPFAQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-20-10-4-3-9(11(5-10)21-2)6-17-7-12(19)18-8-13(14,15)16/h3-5,17H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60957321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).