4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

C15H20N2O4 — CID 86282485

IUPAC4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCOc1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)4-2-3-9-21-15(19)17-13-10-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeySJNDCCZZPWVOCC-ZDUSSCGKSA-N
MW292.33 g/mol
LogP1.24
Rot. Bonds7

About 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (PubChem CID 86282485) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Name4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
PubChem CID86282485
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
SMILESCOc1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
InChIInChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)4-2-3-9-21-15(19)17-13-10-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
InChIKeySJNDCCZZPWVOCC-ZDUSSCGKSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate (CID 86282485) is 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is COc1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is SJNDCCZZPWVOCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)4-2-3-9-21-15(19)17-13-10-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate?
4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 292.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)butyl N-[(3S)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 86282485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).