N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide

C17H25F3N2O2 — CID 119660284

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-12(2)14(21)10-11-22(3)16(23)9-8-13-6-4-5-7-15(13)24-17(18,19)20/h4-7,12,14H,8-11,21H2,1-3H3
InChIKeyQROPGRTXDVRTES-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.35
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide

N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 119660284) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID119660284
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C)C(N)CCN(C)C(=O)CCc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-12(2)14(21)10-11-22(3)16(23)9-8-13-6-4-5-7-15(13)24-17(18,19)20/h4-7,12,14H,8-11,21H2,1-3H3
InChIKeyQROPGRTXDVRTES-UHFFFAOYSA-N
XLogP3.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119233204
2-methyl-3-[methyl-[3-[2-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119228746
N-(3-amino-4-methylpentyl)-2-[2-(difluoromethoxy)phenyl]-N-methylacetamide
CID 119659145
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-(3-amino-4-methylpentyl)-3-(2-methoxyphenyl)-N-methylbutanamide;hydrochloride
CID 119658162
N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide (CID 119660284) is N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide is CC(C)C(N)CCN(C)C(=O)CCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is QROPGRTXDVRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-12(2)14(21)10-11-22(3)16(23)9-8-13-6-4-5-7-15(13)24-17(18,19)20/h4-7,12,14H,8-11,21H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 119660284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).