1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one

C22H27NO3 — CID 23163472

IUPAC1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
SMILESCC(O)C1C(=O)N(Cc2ccccc2)C1C(C)COCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16(14-26-15-19-11-7-4-8-12-19)21-20(17(2)24)22(25)23(21)13-18-9-5-3-6-10-18/h3-12,16-17,20-21,24H,13-15H2,1-2H3
InChIKeyGSTARHAESXLNPT-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.25
Rot. Bonds8

About 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one

1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one (PubChem CID 23163472) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
PubChem CID23163472
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
SMILESCC(O)C1C(=O)N(Cc2ccccc2)C1C(C)COCc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16(14-26-15-19-11-7-4-8-12-19)21-20(17(2)24)22(25)23(21)13-18-9-5-3-6-10-18/h3-12,16-17,20-21,24H,13-15H2,1-2H3
InChIKeyGSTARHAESXLNPT-UHFFFAOYSA-N
XLogP3.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 390826
CID 390826
CID 496416
CID 496416
CID 11257588
CID 11257588
CID 109635074
CID 109635074
CID 10689691
CID 10689691
CID 12969648
CID 12969648
CID 13712797
CID 13712797
CID 13712799
CID 13712799
CID 13712800
CID 13712800
CID 13712802
CID 13712802
CID 13769149
CID 13769149
CID 14039714
CID 14039714

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The IUPAC name of 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one (CID 23163472) is 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one.
What is the SMILES notation for 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The canonical SMILES for 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one is CC(O)C1C(=O)N(Cc2ccccc2)C1C(C)COCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The InChIKey is GSTARHAESXLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(14-26-15-19-11-7-4-8-12-19)21-20(17(2)24)22(25)23(21)13-18-9-5-3-6-10-18/h3-12,16-17,20-21,24H,13-15H2,1-2H3.
What are the key properties of 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one has a molecular weight of 353.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one is sourced from PubChem (CID 23163472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).