N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide

C17H21F3N2O2 — CID 71998503

IUPACN-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H21F3N2O2/c1-2-14(23)21-10-15(24)22-11-16(7-4-8-16)12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRIVJBRBWDRPZGB-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.77
Rot. Bonds6

About N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide

N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide (PubChem CID 71998503) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
PubChem CID71998503
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H21F3N2O2/c1-2-14(23)21-10-15(24)22-11-16(7-4-8-16)12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRIVJBRBWDRPZGB-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-(2-methoxyethylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]acetamide
CID 119772784
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide?
The IUPAC name of N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide (CID 71998503) is N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide.
What is the SMILES notation for N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide?
The canonical SMILES for N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide is CCC(=O)NCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide?
The InChIKey is RIVJBRBWDRPZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-2-14(23)21-10-15(24)22-11-16(7-4-8-16)12-5-3-6-13(9-12)17(18,19)20/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide?
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide has a molecular weight of 342.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide is sourced from PubChem (CID 71998503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).