N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide

C15H21F3N2O — CID 81487190

IUPACN-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)13(19)8-9-20(3)14(21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,8-9,19H2,1-3H3
InChIKeyVUXIKDXBPCALKA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.15
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide

N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 81487190) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID81487190
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)13(19)8-9-20(3)14(21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,8-9,19H2,1-3H3
InChIKeyVUXIKDXBPCALKA-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119661470
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-4-(2-amino-2-oxoethyl)sulfonyl-N-methylbenzamide;hydrochloride
CID 119658844
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
N-(3-amino-4-methylpentyl)-N-methyl-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119660257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide (CID 81487190) is N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide is CC(C)C(N)CCN(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is VUXIKDXBPCALKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)13(19)8-9-20(3)14(21)11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13H,8-9,19H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 81487190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).