(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide

C12H14N2O5 — CID 123635016

IUPAC(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
SMILESCOc1ccc(C2O[C@@H](C(N)=O)[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C12H14N2O5/c1-17-7-4-2-6(3-5-7)12-18-8(10(13)15)9(19-12)11(14)16/h2-5,8-9,12H,1H3,(H2,13,15)(H2,14,16)/t8-,9-/m1/s1
InChIKeyJKDBCIPMVUJNGZ-RKDXNWHRSA-N
MW266.25 g/mol
LogP-0.55
Rot. Bonds4

About (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 123635016) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
PubChem CID123635016
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
SMILESCOc1ccc(C2O[C@@H](C(N)=O)[C@H](C(N)=O)O2)cc1
InChIInChI=1S/C12H14N2O5/c1-17-7-4-2-6(3-5-7)12-18-8(10(13)15)9(19-12)11(14)16/h2-5,8-9,12H,1H3,(H2,13,15)(H2,14,16)/t8-,9-/m1/s1
InChIKeyJKDBCIPMVUJNGZ-RKDXNWHRSA-N
XLogP-0.55
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide (CID 123635016) is (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide is COc1ccc(C2O[C@@H](C(N)=O)[C@H](C(N)=O)O2)cc1.
What is the InChIKey of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is JKDBCIPMVUJNGZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-17-7-4-2-6(3-5-7)12-18-8(10(13)15)9(19-12)11(14)16/h2-5,8-9,12H,1H3,(H2,13,15)(H2,14,16)/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 266.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 123635016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).