N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide

C17H25F3N2O — CID 119571655

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O/c1-4-16(5-2,11-21)22-15(23)10-12(3)13-8-6-7-9-14(13)17(18,19)20/h6-9,12H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyBOFMZVVFAYVJNE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.83
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide

N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 119571655) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID119571655
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O/c1-4-16(5-2,11-21)22-15(23)10-12(3)13-8-6-7-9-14(13)17(18,19)20/h6-9,12H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyBOFMZVVFAYVJNE-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119575539
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
CID 119569913
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
2-[2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]ethylsulfanyl]acetic acid
CID 119242380
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide (CID 119571655) is N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide is CCC(CC)(CN)NC(=O)CC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BOFMZVVFAYVJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-4-16(5-2,11-21)22-15(23)10-12(3)13-8-6-7-9-14(13)17(18,19)20/h6-9,12H,4-5,10-11,21H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 330.39 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119571655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).