N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide

C24H30F3NO3 — CID 172634599

IUPACN-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C24H30F3NO3/c1-22(2,3)16-23(4,5)17-9-11-19(12-10-17)30-14-13-21(29)28-18-7-6-8-20(15-18)31-24(25,26)27/h6-12,15H,13-14,16H2,1-5H3,(H,28,29)
InChIKeyUMVBRVADHNZEQC-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.71
Rot. Bonds8

About N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide

N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide (PubChem CID 172634599) has the molecular formula C24H30F3NO3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide
PubChem CID172634599
Molecular FormulaC24H30F3NO3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C24H30F3NO3/c1-22(2,3)16-23(4,5)17-9-11-19(12-10-17)30-14-13-21(29)28-18-7-6-8-20(15-18)31-24(25,26)27/h6-12,15H,13-14,16H2,1-5H3,(H,28,29)
InChIKeyUMVBRVADHNZEQC-UHFFFAOYSA-N
XLogP6.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]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

ethyl 2-[[3-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoylamino]benzoyl]amino]acetate
CID 142425322
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 16778263
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
ethyl 2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoylamino]-1,3-thiazole-4-carboxylate
CID 172634622
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide (CID 172634599) is N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide is CC(C)(C)CC(C)(C)c1ccc(OCCC(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide?
The InChIKey is UMVBRVADHNZEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3NO3/c1-22(2,3)16-23(4,5)17-9-11-19(12-10-17)30-14-13-21(29)28-18-7-6-8-20(15-18)31-24(25,26)27/h6-12,15H,13-14,16H2,1-5H3,(H,28,29).
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide?
N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide has a molecular weight of 437.50 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanamide is sourced from PubChem (CID 172634599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).