tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate

C20H29FN2O2 — CID 142816150

IUPACtert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate
SMILESC=C1CCC(C)N1CCC(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C20H29FN2O2/c1-14-9-10-15(2)23(14)12-11-18(16-7-6-8-17(21)13-16)22-19(24)25-20(3,4)5/h6-8,13,15,18H,1,9-12H2,2-5H3,(H,22,24)
InChIKeyNLJHUFQQVAGRGF-UHFFFAOYSA-N
MW348.46 g/mol
LogP4.78
Rot. Bonds5

About tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate

tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate (PubChem CID 142816150) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate
PubChem CID142816150
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Nametert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate
SMILESC=C1CCC(C)N1CCC(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C20H29FN2O2/c1-14-9-10-15(2)23(14)12-11-18(16-7-6-8-17(21)13-16)22-19(24)25-20(3,4)5/h6-8,13,15,18H,1,9-12H2,2-5H3,(H,22,24)
InChIKeyNLJHUFQQVAGRGF-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-(3-fluorophenyl)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]carbamate
CID 20609979
tert-butyl N-[(1S)-3-[4-[(2,6-dichlorobenzoyl)amino]-4-methylpiperidin-1-yl]-1-(3-fluorophenyl)propyl]carbamate
CID 141257716
tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
CID 63787966
2-(3-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]acetic acid
CID 118705304
tert-butyl N-[(1R)-3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1-phenylpropyl]carbamate
CID 58782541
tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
CID 141111564
[1-[[3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutyl]boronic acid
CID 75306545
(2R,3R)-3-(3-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762301
tert-butyl N-[3-amino-1-(3-chlorophenyl)propyl]carbamate
CID 146479429
3-[2-[[(3R)-3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethyldisulfanyl]propanoic acid
CID 167755607
[3-[3-(4-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] N,N-dimethylcarbamate
CID 90820092
tert-butyl N-[(2S)-2-(3-fluorophenyl)-2-(5-oxooxolan-2-yl)ethyl]carbamate
CID 90787456

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate (CID 142816150) is tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate is C=C1CCC(C)N1CCC(NC(=O)OC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate?
The InChIKey is NLJHUFQQVAGRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14-9-10-15(2)23(14)12-11-18(16-7-6-8-17(21)13-16)22-19(24)25-20(3,4)5/h6-8,13,15,18H,1,9-12H2,2-5H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate?
tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate has a molecular weight of 348.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-fluorophenyl)-3-(2-methyl-5-methylidenepyrrolidin-1-yl)propyl]carbamate is sourced from PubChem (CID 142816150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).