(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

C13H16N2O3 — CID 140705543

IUPAC(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCCc1ccc(OC(=O)N(C)[C@H]2CNC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-9-4-6-10(7-5-9)18-13(17)15(2)11-8-14-12(11)16/h4-7,11H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOEOLLOSGFKRYPC-NSHDSACASA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds3

About (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate

(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 140705543) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID140705543
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCCc1ccc(OC(=O)N(C)[C@H]2CNC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-3-9-4-6-10(7-5-9)18-13(17)15(2)11-8-14-12(11)16/h4-7,11H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1
InChIKeyOEOLLOSGFKRYPC-NSHDSACASA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)phenyl] N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746516
(6-phenyl-3-pyridinyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746508
benzyl N-methyl-N-(2-oxoazetidin-3-yl)carbamate
CID 90426419
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
(4-ethylphenyl) carbamate
CID 1269945
(4-phenylphenyl) N-methyl-N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 140705537
(4,4-difluorocyclohexyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate
CID 131746537
(4-ethylphenyl) adamantane-2-carboxylate
CID 140653905
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
N-[2-(4-ethylphenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 50975165
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 140705543) is (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is CCc1ccc(OC(=O)N(C)[C@H]2CNC2=O)cc1.
What is the InChIKey of (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is OEOLLOSGFKRYPC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-9-4-6-10(7-5-9)18-13(17)15(2)11-8-14-12(11)16/h4-7,11H,3,8H2,1-2H3,(H,14,16)/t11-/m0/s1.
What are the key properties of (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate?
(4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) N-methyl-N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 140705543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).