benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate

C24H24N2O4 — CID 4866646

IUPACbenzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1C(=O)N(Cc2ccccc2)C1c1ccco1
InChIInChI=1S/C24H24N2O4/c1-17(25-24(28)30-16-19-11-6-3-7-12-19)21-22(20-13-8-14-29-20)26(23(21)27)15-18-9-4-2-5-10-18/h2-14,17,21-22H,15-16H2,1H3,(H,25,28)
InChIKeyJEMLAPYZLUBWBB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.29
Rot. Bonds7

About benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate

benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate (PubChem CID 4866646) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate
PubChem CID4866646
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namebenzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C1C(=O)N(Cc2ccccc2)C1c1ccco1
InChIInChI=1S/C24H24N2O4/c1-17(25-24(28)30-16-19-11-6-3-7-12-19)21-22(20-13-8-14-29-20)26(23(21)27)15-18-9-4-2-5-10-18/h2-14,17,21-22H,15-16H2,1H3,(H,25,28)
InChIKeyJEMLAPYZLUBWBB-UHFFFAOYSA-N
XLogP4.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate
CID 10884533
benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate
CID 10906455
benzyl N-[(2S)-1-[[(1S)-1-[(3S,4R)-1-benzyl-2-oxo-4-phenylazetidin-3-yl]-3-methylbutyl]amino]-1-oxopropan-2-yl]carbamate
CID 102237512
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
CID 130791608
benzyl N-[(1R)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 10576904
benzyl N-[(1S)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
CID 100979222
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2R,3S,4S)-2-(furan-2-yl)-4-hydroxy-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 51418122
benzyl N-(4-chloro-3-oxobutan-2-yl)carbamate
CID 14021709
benzyl N-[(2S)-4-chloro-3-oxobutan-2-yl]carbamate
CID 5491980
benzyl (2S,5R,6S)-3,3-dimethyl-4,4,7-trioxo-6-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 70464246

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate (CID 4866646) is benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate is CC(NC(=O)OCc1ccccc1)C1C(=O)N(Cc2ccccc2)C1c1ccco1.
What is the InChIKey of benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The InChIKey is JEMLAPYZLUBWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17(25-24(28)30-16-19-11-6-3-7-12-19)21-22(20-13-8-14-29-20)26(23(21)27)15-18-9-4-2-5-10-18/h2-14,17,21-22H,15-16H2,1H3,(H,25,28).
What are the key properties of benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate?
benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 4866646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).