(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide

C20H23NO4 — CID 95275632

IUPAC(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(NC(=O)[C@@H]2CCOC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-7-3-14(4-8-17)19(15-5-9-18(24-2)10-6-15)21-20(22)16-11-12-25-13-16/h3-10,16,19H,11-13H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeySJPRWHLMTKPZEK-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide

(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide (PubChem CID 95275632) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
PubChem CID95275632
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(NC(=O)[C@@H]2CCOC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-7-3-14(4-8-17)19(15-5-9-18(24-2)10-6-15)21-20(22)16-11-12-25-13-16/h3-10,16,19H,11-13H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeySJPRWHLMTKPZEK-MRXNPFEDSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide (CID 95275632) is (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide is COc1ccc(C(NC(=O)[C@@H]2CCOC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
The InChIKey is SJPRWHLMTKPZEK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-7-3-14(4-8-17)19(15-5-9-18(24-2)10-6-15)21-20(22)16-11-12-25-13-16/h3-10,16,19H,11-13H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide?
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95275632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).