(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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Related Compounds

(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 97247545
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methoxyphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 59768199
N-[3-(2-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 119281226
1-(2-hydroxycyclohexyl)-3-[3-(2-methoxyphenyl)phenyl]urea
CID 111117104
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
(2S,4R)-2-cyclohexyl-4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95628343
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
1-[3-(2-methoxyphenyl)phenyl]-3-(4-methyloxan-4-yl)urea
CID 84597411
N-[3-(2-methoxyphenyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281223
1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61181705

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).