tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate

C19H29FN2O3 — CID 113424463

IUPACtert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate
SMILESCOc1cc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)ccc1F
InChIInChI=1S/C19H29FN2O3/c1-13(14-7-8-15(20)16(11-14)24-5)21-12-19(9-6-10-19)22-17(23)25-18(2,3)4/h7-8,11,13,21H,6,9-10,12H2,1-5H3,(H,22,23)
InChIKeyYORMGKCWFVQOEQ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.93
Rot. Bonds6

About tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate (PubChem CID 113424463) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate
PubChem CID113424463
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nametert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate
SMILESCOc1cc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)ccc1F
InChIInChI=1S/C19H29FN2O3/c1-13(14-7-8-15(20)16(11-14)24-5)21-12-19(9-6-10-19)22-17(23)25-18(2,3)4/h7-8,11,13,21H,6,9-10,12H2,1-5H3,(H,22,23)
InChIKeyYORMGKCWFVQOEQ-UHFFFAOYSA-N
XLogP3.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 107243282
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
N-[(1-cyclopropylcyclopropyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 103904137
tert-butyl N-[1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-yl]carbamate
CID 102794740
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415550
tert-butyl N-[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]ethyl]carbamate
CID 124575856
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
tert-butyl N-[1-[[(2,4-dichlorophenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243334
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate (CID 113424463) is tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate is COc1cc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)ccc1F.
What is the InChIKey of tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The InChIKey is YORMGKCWFVQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-13(14-7-8-15(20)16(11-14)24-5)21-12-19(9-6-10-19)22-17(23)25-18(2,3)4/h7-8,11,13,21H,6,9-10,12H2,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate has a molecular weight of 352.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 113424463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).