N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

C17H23F3N2O — CID 42888820

IUPACN-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-12(16(23)21-15-5-3-4-6-15)22(2)11-13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3,(H,21,23)
InChIKeyTYIBTRVUYRMDPT-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.58
Rot. Bonds5

About N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide

N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (PubChem CID 42888820) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
PubChem CID42888820
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
SMILESCC(C(=O)NC1CCCC1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-12(16(23)21-15-5-3-4-6-15)22(2)11-13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3,(H,21,23)
InChIKeyTYIBTRVUYRMDPT-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
Smac peptido-mimetic 1
CID 11200722
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide (CID 42888820) is N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is CC(C(=O)NC1CCCC1)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
The InChIKey is TYIBTRVUYRMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-12(16(23)21-15-5-3-4-6-15)22(2)11-13-7-9-14(10-8-13)17(18,19)20/h7-10,12,15H,3-6,11H2,1-2H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide?
N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide has a molecular weight of 328.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide is sourced from PubChem (CID 42888820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).