2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide

C17H23F3N2O — CID 119772788

IUPAC2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2O/c1-3-7-15(2,21)14(23)22-11-16(8-9-16)12-5-4-6-13(10-12)17(18,19)20/h4-6,10H,3,7-9,11,21H2,1-2H3,(H,22,23)
InChIKeyOLGZVWGWDWVZSR-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.37
Rot. Bonds6

About 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide

2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide (PubChem CID 119772788) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
PubChem CID119772788
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H23F3N2O/c1-3-7-15(2,21)14(23)22-11-16(8-9-16)12-5-4-6-13(10-12)17(18,19)20/h4-6,10H,3,7-9,11,21H2,1-2H3,(H,22,23)
InChIKeyOLGZVWGWDWVZSR-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119699195
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpentanamide
CID 119800186
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide (CID 119772788) is 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide is CCCC(C)(N)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide?
The InChIKey is OLGZVWGWDWVZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-3-7-15(2,21)14(23)22-11-16(8-9-16)12-5-4-6-13(10-12)17(18,19)20/h4-6,10H,3,7-9,11,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide?
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide has a molecular weight of 328.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide is sourced from PubChem (CID 119772788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).