N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol

C23H30F3NO2 — CID 156722043

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(C)NC(=O)CC(C)C)cc1C.OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23NO.C8H7F3O/c1-10(2)8-15(17)16-13(5)14-7-6-11(3)12(4)9-14;9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,9-10,13H,8H2,1-5H3,(H,16,17);1-4,12H,5H2
InChIKeyCZQJLIGPARYDOS-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.72
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol

N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol (PubChem CID 156722043) has the molecular formula C23H30F3NO2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol
PubChem CID156722043
Molecular FormulaC23H30F3NO2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C(C)NC(=O)CC(C)C)cc1C.OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23NO.C8H7F3O/c1-10(2)8-15(17)16-13(5)14-7-6-11(3)12(4)9-14;9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,9-10,13H,8H2,1-5H3,(H,16,17);1-4,12H,5H2
InChIKeyCZQJLIGPARYDOS-UHFFFAOYSA-N
XLogP5.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol 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

(4-chlorophenyl)methanol;4-[1-(3-methylbutanoylamino)ethyl]benzoic acid
CID 156722088
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 34161966
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243480
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol (CID 156722043) is N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol is Cc1ccc(C(C)NC(=O)CC(C)C)cc1C.OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is CZQJLIGPARYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C8H7F3O/c1-10(2)8-15(17)16-13(5)14-7-6-11(3)12(4)9-14;9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,9-10,13H,8H2,1-5H3,(H,16,17);1-4,12H,5H2.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol?
N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 409.49 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3-methylbutanamide;[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 156722043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).