2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide

C39H44N2O8 — CID 141117149

IUPAC2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](C)C1C([C@@H](C)C(O)(c2ccccc2OC)c2ccccc2OC)C1(C(N)=O)C(N)=O
InChIInChI=1S/C39H44N2O8/c1-23(38(44,25-15-7-11-19-29(25)46-3)26-16-8-12-20-30(26)47-4)33-34(37(33,35(40)42)36(41)43)24(2)39(45,27-17-9-13-21-31(27)48-5)28-18-10-14-22-32(28)49-6/h7-24,33-34,44-45H,1-6H3,(H2,40,42)(H2,41,43)/t23-,24-,33?,34?/m1/s1
InChIKeyDMPYKRWHQQDCMA-LSVNORFESA-N
MW668.79 g/mol
LogP4.37
Rot. Bonds14

About 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide

2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 141117149) has the molecular formula C39H44N2O8 and a molecular weight of 668.79 g/mol. Its IUPAC name is 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide
PubChem CID141117149
Molecular FormulaC39H44N2O8
Molecular Weight668.79 g/mol
Exact Mass668.31
IUPAC Name2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1C(O)(c1ccccc1OC)[C@H](C)C1C([C@@H](C)C(O)(c2ccccc2OC)c2ccccc2OC)C1(C(N)=O)C(N)=O
InChIInChI=1S/C39H44N2O8/c1-23(38(44,25-15-7-11-19-29(25)46-3)26-16-8-12-20-30(26)47-4)33-34(37(33,35(40)42)36(41)43)24(2)39(45,27-17-9-13-21-31(27)48-5)28-18-10-14-22-32(28)49-6/h7-24,33-34,44-45H,1-6H3,(H2,40,42)(H2,41,43)/t23-,24-,33?,34?/m1/s1
InChIKeyDMPYKRWHQQDCMA-LSVNORFESA-N
XLogP4.37
TPSA163.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.79
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide (CID 141117149) is 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide is COc1ccccc1C(O)(c1ccccc1OC)[C@H](C)C1C([C@@H](C)C(O)(c2ccccc2OC)c2ccccc2OC)C1(C(N)=O)C(N)=O.
What is the InChIKey of 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is DMPYKRWHQQDCMA-LSVNORFESA-N. The full InChI is InChI=1S/C39H44N2O8/c1-23(38(44,25-15-7-11-19-29(25)46-3)26-16-8-12-20-30(26)47-4)33-34(37(33,35(40)42)36(41)43)24(2)39(45,27-17-9-13-21-31(27)48-5)28-18-10-14-22-32(28)49-6/h7-24,33-34,44-45H,1-6H3,(H2,40,42)(H2,41,43)/t23-,24-,33?,34?/m1/s1.
What are the key properties of 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide?
2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 668.79 g/mol, XLogP of 4.37, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(2R)-1-hydroxy-1,1-bis(2-methoxyphenyl)propan-2-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 141117149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).