tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate

C18H29FN2O2 — CID 107250837

IUPACtert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(CC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O2/c1-6-15(12-20-17(22)23-18(3,4)5)21-16(7-2)13-8-10-14(19)11-9-13/h8-11,15-16,21H,6-7,12H2,1-5H3,(H,20,22)
InChIKeyRAGRWLOKDZMUNC-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.17
Rot. Bonds7

About tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate

tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate (PubChem CID 107250837) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
PubChem CID107250837
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(CC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O2/c1-6-15(12-20-17(22)23-18(3,4)5)21-16(7-2)13-8-10-14(19)11-9-13/h8-11,15-16,21H,6-7,12H2,1-5H3,(H,20,22)
InChIKeyRAGRWLOKDZMUNC-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
tert-butyl N-[2-[1-(2,5-difluorophenyl)ethylamino]butyl]carbamate
CID 107251325
tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[3-[1-(4-methylphenyl)propylamino]propyl]carbamate
CID 103781079
tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
CID 146633642
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
tert-butyl N-[1-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 87517923
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate (CID 107250837) is tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(CC)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate?
The InChIKey is RAGRWLOKDZMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-6-15(12-20-17(22)23-18(3,4)5)21-16(7-2)13-8-10-14(19)11-9-13/h8-11,15-16,21H,6-7,12H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate?
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate is sourced from PubChem (CID 107250837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).