tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate

C18H24N2O3 — CID 172648323

IUPACtert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
SMILESC=Cc1ccc(CC(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-5-13-6-8-14(9-7-13)10-16(21)20-11-15(12-20)19-17(22)23-18(2,3)4/h5-9,15H,1,10-12H2,2-4H3,(H,19,22)
InChIKeyUCEVETYQQCPAHS-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.61
Rot. Bonds4

About tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate

tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate (PubChem CID 172648323) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
PubChem CID172648323
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate
SMILESC=Cc1ccc(CC(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-5-13-6-8-14(9-7-13)10-16(21)20-11-15(12-20)19-17(22)23-18(2,3)4/h5-9,15H,1,10-12H2,2-4H3,(H,19,22)
InChIKeyUCEVETYQQCPAHS-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
tert-butyl N-[1-[2-(3-ethenyl-4-methoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 176516177
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082
tert-butyl N-[(3R)-1-[2-(3-bromo-4-methoxyphenyl)acetyl]pyrrolidin-3-yl]carbamate
CID 176516114
tert-butyl N-[(3R)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidin-3-yl]carbamate
CID 176515927
tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918
tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate
CID 153395185
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate (CID 172648323) is tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate is C=Cc1ccc(CC(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate?
The InChIKey is UCEVETYQQCPAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-13-6-8-14(9-7-13)10-16(21)20-11-15(12-20)19-17(22)23-18(2,3)4/h5-9,15H,1,10-12H2,2-4H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate?
tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-ethenylphenyl)acetyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 172648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).