N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide

C17H25F3N2O2 — CID 119599569

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c1-12(2)10-16(3,11-21)22-15(23)9-6-13-4-7-14(8-5-13)24-17(18,19)20/h4-5,7-8,12H,6,9-11,21H2,1-3H3,(H,22,23)
InChIKeyFARVWHAYEAHDJK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.40
Rot. Bonds8

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119599569) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID119599569
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)CC(C)(CN)NC(=O)CCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H25F3N2O2/c1-12(2)10-16(3,11-21)22-15(23)9-6-13-4-7-14(8-5-13)24-17(18,19)20/h4-5,7-8,12H,6,9-11,21H2,1-3H3,(H,22,23)
InChIKeyFARVWHAYEAHDJK-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
CID 119192267
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(1-amino-2-methylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 119523960
3-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119177395
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
CID 119598722
3-amino-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288366
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide (CID 119599569) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide is CC(C)CC(C)(CN)NC(=O)CCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is FARVWHAYEAHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-12(2)10-16(3,11-21)22-15(23)9-6-13-4-7-14(8-5-13)24-17(18,19)20/h4-5,7-8,12H,6,9-11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119599569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).