N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

C15H21F3N2O — CID 119495884

IUPACN-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(N)CCNC(=O)C(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(14(21)20-8-7-11(2)19)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3,(H,20,21)
InChIKeyBKYXQHCNSFJMDQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.74
Rot. Bonds6

About N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 119495884) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID119495884
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(N)CCNC(=O)C(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(14(21)20-8-7-11(2)19)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3,(H,20,21)
InChIKeyBKYXQHCNSFJMDQ-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
lithium;hydride;[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino] benzoate
CID 174428956
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
5-[[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246079
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 119495884) is N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(N)CCNC(=O)C(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BKYXQHCNSFJMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(14(21)20-8-7-11(2)19)9-12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11H,7-9,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119495884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).