1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one

C30H35NO5 — CID 14039714

IUPAC1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)C(C(C)O)C2C(C)COCc2ccccc2)cc1
InChIInChI=1S/C30H35NO5/c1-20(18-36-19-22-8-6-5-7-9-22)28-27(21(2)32)30(33)31(28)29(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-17,20-21,27-29,32H,18-19H2,1-4H3
InChIKeyJRMLAUACYLSRJC-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.85
Rot. Bonds11

About 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one

1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one (PubChem CID 14039714) has the molecular formula C30H35NO5 and a molecular weight of 489.61 g/mol. Its IUPAC name is 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one.

Molecular Properties

Compound Name1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
PubChem CID14039714
Molecular FormulaC30H35NO5
Molecular Weight489.61 g/mol
Exact Mass489.25
IUPAC Name1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one
SMILESCOc1ccc(C(c2ccc(OC)cc2)N2C(=O)C(C(C)O)C2C(C)COCc2ccccc2)cc1
InChIInChI=1S/C30H35NO5/c1-20(18-36-19-22-8-6-5-7-9-22)28-27(21(2)32)30(33)31(28)29(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-17,20-21,27-29,32H,18-19H2,1-4H3
InChIKeyJRMLAUACYLSRJC-UHFFFAOYSA-N
XLogP4.85
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The IUPAC name of 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one (CID 14039714) is 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one.
What is the SMILES notation for 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The canonical SMILES for 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one is COc1ccc(C(c2ccc(OC)cc2)N2C(=O)C(C(C)O)C2C(C)COCc2ccccc2)cc1.
What is the InChIKey of 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
The InChIKey is JRMLAUACYLSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO5/c1-20(18-36-19-22-8-6-5-7-9-22)28-27(21(2)32)30(33)31(28)29(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-17,20-21,27-29,32H,18-19H2,1-4H3.
What are the key properties of 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one?
1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one has a molecular weight of 489.61 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-methoxyphenyl)methyl]-3-(1-hydroxyethyl)-4-(1-phenylmethoxypropan-2-yl)azetidin-2-one is sourced from PubChem (CID 14039714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).