tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate

C18H29FN2O2 — CID 103788194

IUPACtert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29FN2O2/c1-13(10-14-8-7-9-15(19)11-14)20-12-18(5,6)21-16(22)23-17(2,3)4/h7-9,11,13,20H,10,12H2,1-6H3,(H,21,22)
InChIKeyHIWBAAMTTYLRTM-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.65
Rot. Bonds6

About tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 103788194) has the molecular formula C18H29FN2O2 and a molecular weight of 324.44 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
PubChem CID103788194
Molecular FormulaC18H29FN2O2
Molecular Weight324.44 g/mol
Exact Mass324.22
IUPAC Nametert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(Cc1cccc(F)c1)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H29FN2O2/c1-13(10-14-8-7-9-15(19)11-14)20-12-18(5,6)21-16(22)23-17(2,3)4/h7-9,11,13,20H,10,12H2,1-6H3,(H,21,22)
InChIKeyHIWBAAMTTYLRTM-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
CID 84730610
tert-butyl N-[1-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 104582926
methyl (2R,3S)-4-(3-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 90878773
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 89063581
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115720190
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
tert-butyl N-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 103788216
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate (CID 103788194) is tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate is CC(Cc1cccc(F)c1)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is HIWBAAMTTYLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O2/c1-13(10-14-8-7-9-15(19)11-14)20-12-18(5,6)21-16(22)23-17(2,3)4/h7-9,11,13,20H,10,12H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 324.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103788194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).