tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate

C20H29FN2O4 — CID 75396673

IUPACtert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29FN2O4/c1-19(2,3)27-18(25)23(13-14-26-4)12-11-22-17(24)20(9-10-20)15-5-7-16(21)8-6-15/h5-8H,9-14H2,1-4H3,(H,22,24)
InChIKeyUWSGVMZMFNQBHF-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.86
Rot. Bonds8

About tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate

tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate (PubChem CID 75396673) has the molecular formula C20H29FN2O4 and a molecular weight of 380.46 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
PubChem CID75396673
Molecular FormulaC20H29FN2O4
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CCNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29FN2O4/c1-19(2,3)27-18(25)23(13-14-26-4)12-11-22-17(24)20(9-10-20)15-5-7-16(21)8-6-15/h5-8H,9-14H2,1-4H3,(H,22,24)
InChIKeyUWSGVMZMFNQBHF-UHFFFAOYSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxamide
CID 82726303
1-(4-fluorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)cyclopropane-1-carboxamide
CID 111484002
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
tert-butyl N-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-methylcarbamate
CID 51134937
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
1-(4-methoxyphenyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 110485708
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 103840217
1-(4-fluorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 33106611
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate (CID 75396673) is tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate is COCCN(CCNC(=O)C1(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is UWSGVMZMFNQBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O4/c1-19(2,3)27-18(25)23(13-14-26-4)12-11-22-17(24)20(9-10-20)15-5-7-16(21)8-6-15/h5-8H,9-14H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate?
tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 380.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 75396673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).