N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide

C13H15F3N2O3 — CID 10614448

IUPACN-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-8(18(2)12(20)13(14,15)16)11(19)17-9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,17,19)
InChIKeyAPGCIILVRYRPCE-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.04
Rot. Bonds4

About N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide

N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 10614448) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID10614448
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O3/c1-8(18(2)12(20)13(14,15)16)11(19)17-9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,17,19)
InChIKeyAPGCIILVRYRPCE-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide 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

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 111750353
3-[[1-(4-methoxyanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911900
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2R)-N-(4-bromophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 7993669
(2S)-2-fluoro-N-(4-methoxyphenyl)-3-oxobutanamide
CID 125485818
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
(2S)-N-(4-iodophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 998779
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide (CID 10614448) is N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide is COc1ccc(NC(=O)C(C)N(C)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is APGCIILVRYRPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-8(18(2)12(20)13(14,15)16)11(19)17-9-4-6-10(21-3)7-5-9/h4-8H,1-3H3,(H,17,19).
What are the key properties of N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide?
N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 304.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 10614448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).