1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide

C19H23F3N2O3 — CID 56907965

IUPAC1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCC1
InChIInChI=1S/C19H23F3N2O3/c1-27-12-18(7-4-8-18)17(26)23-14-9-16(25)24(11-14)10-13-5-2-3-6-15(13)19(20,21)22/h2-3,5-6,14H,4,7-12H2,1H3,(H,23,26)
InChIKeySIDZJWINSXDLTC-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.74
Rot. Bonds6

About 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 56907965) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID56907965
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCC1
InChIInChI=1S/C19H23F3N2O3/c1-27-12-18(7-4-8-18)17(26)23-14-9-16(25)24(11-14)10-13-5-2-3-6-15(13)19(20,21)22/h2-3,5-6,14H,4,7-12H2,1H3,(H,23,26)
InChIKeySIDZJWINSXDLTC-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
(S)-N-(pyrrolidin-3-yl)-N-(2-(trifluoromethyl)benzyl)cyclobutanecarboxamide
CID 45269351
(2S)-1-cyclobutyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 67462045
N-methyl-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24790255
N-ethyl-N'-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}urea
CID 45168836
N-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}tetrahydro-2H-pyran-4-carboxamide
CID 45235022
(4S)-N-ethyl-1-(4-fluoro-2-methylbenzyl)-4-[(3-methoxypropanoyl)amino]-L-prolinamide
CID 72838113
(3aR,6aR)-5-benzyl-N-(3,3-difluorocyclobutyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422366
N~2~,N~2~-dimethyl-N~1~-{5-oxo-1-[2-(trifluoromethyl)benzyl]-3-pyrrolidinyl}glycinamide
CID 45169305
4-Amino-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidin-2-one
CID 55128889
US11919855, Name NUCC-0202851
CID 166031166
4-(Isopropylamino)-1-[2-(trifluoromethyl)benzyl]-2-pyrrolidinone
CID 45168538

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 56907965) is 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide is COCC1(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is SIDZJWINSXDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-27-12-18(7-4-8-18)17(26)23-14-9-16(25)24(11-14)10-13-5-2-3-6-15(13)19(20,21)22/h2-3,5-6,14H,4,7-12H2,1H3,(H,23,26).
What are the key properties of 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 56907965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).