(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide

C19H22N2O4 — CID 97341846

IUPAC(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1cccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)c1
InChIInChI=1S/C19H22N2O4/c1-25-18-8-3-2-7-17(18)13-5-4-6-14(9-13)20-19(24)21-11-16(23)10-15(21)12-22/h2-9,15-16,22-23H,10-12H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyHQMRCJULRNCCRR-HZPDHXFCSA-N
MW342.40 g/mol
LogP2.32
Rot. Bonds4

About (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide

(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 97341846) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID97341846
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccccc1-c1cccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)c1
InChIInChI=1S/C19H22N2O4/c1-25-18-8-3-2-7-17(18)13-5-4-6-14(9-13)20-19(24)21-11-16(23)10-15(21)12-22/h2-9,15-16,22-23H,10-12H2,1H3,(H,20,24)/t15-,16-/m1/s1
InChIKeyHQMRCJULRNCCRR-HZPDHXFCSA-N
XLogP2.32
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide (CID 97341846) is (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide is COc1ccccc1-c1cccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)c1.
What is the InChIKey of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is HQMRCJULRNCCRR-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-18-8-3-2-7-17(18)13-5-4-6-14(9-13)20-19(24)21-11-16(23)10-15(21)12-22/h2-9,15-16,22-23H,10-12H2,1H3,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97341846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).