tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

C19H25FN2O4 — CID 121482787

IUPACtert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25)
InChIKeyPJUHAASSSGMXCF-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (PubChem CID 121482787) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
PubChem CID121482787
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25)
InChIKeyPJUHAASSSGMXCF-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2S)-2-(3-methoxy-2-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate;sulfane
CID 159459909
tert-butyl N-[2-[2-(4-methoxybenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate
CID 101496427
[(2-fluoro-6-methylphenyl)-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-oxopyrrolidin-2-yl]methyl] methanesulfonate
CID 121482996
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
2-[(2S)-2-(3-methylpyridine-2-carbonyl)-5-oxopyrrolidin-1-yl]ethylcarbamic acid
CID 141439689
tert-butyl N-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110457194
tert-butyl N-[6-[[2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxoacetyl]amino]hexyl]carbamate
CID 139329154
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
tert-butyl 3-(2-fluoro-6-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608448
tert-butyl N-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 97225711
benzyl-[(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-3-yl]carbamic acid
CID 135311122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate (CID 121482787) is tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is Cc1cccc(F)c1C(=O)C1CCC(=O)N1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is PJUHAASSSGMXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-12-6-5-7-13(20)16(12)17(24)14-8-9-15(23)22(14)11-10-21-18(25)26-19(2,3)4/h5-7,14H,8-11H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 364.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-fluoro-6-methylbenzoyl)-5-oxopyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 121482787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).