1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea

C18H19N3O2 — CID 122151249

IUPAC1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(N2CCC2=O)c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-13(14-6-3-2-4-7-14)19-18(23)20-15-8-5-9-16(12-15)21-11-10-17(21)22/h2-9,12-13H,10-11H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyGXGDVANCDOVIEZ-CYBMUJFWSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds4

About 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea

1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 122151249) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID122151249
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(N2CCC2=O)c1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-13(14-6-3-2-4-7-14)19-18(23)20-15-8-5-9-16(12-15)21-11-10-17(21)22/h2-9,12-13H,10-11H2,1H3,(H2,19,20,23)/t13-/m1/s1
InChIKeyGXGDVANCDOVIEZ-CYBMUJFWSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86988041
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 94652870
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119724509
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216249
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea (CID 122151249) is 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cccc(N2CCC2=O)c1)c1ccccc1.
What is the InChIKey of 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is GXGDVANCDOVIEZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(14-6-3-2-4-7-14)19-18(23)20-15-8-5-9-16(12-15)21-11-10-17(21)22/h2-9,12-13H,10-11H2,1H3,(H2,19,20,23)/t13-/m1/s1.
What are the key properties of 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea?
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 309.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 122151249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).