(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide

C19H22N2O4 — CID 124685831

IUPAC(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-17-4-2-3-5-18(17)25-15-8-6-13(7-9-15)11-21-19(23)16-10-14(22)12-20-16/h2-9,14,16,20,22H,10-12H2,1H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyNFUWANFZBTVRPW-GDBMZVCRSA-N
MW342.40 g/mol
LogP1.83
Rot. Bonds6

About (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124685831) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID124685831
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Oc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1
InChIInChI=1S/C19H22N2O4/c1-24-17-4-2-3-5-18(17)25-15-8-6-13(7-9-15)11-21-19(23)16-10-14(22)12-20-16/h2-9,14,16,20,22H,10-12H2,1H3,(H,21,23)/t14-,16-/m1/s1
InChIKeyNFUWANFZBTVRPW-GDBMZVCRSA-N
XLogP1.83
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119691567
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide (CID 124685831) is (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide is COc1ccccc1Oc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NFUWANFZBTVRPW-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-4-2-3-5-18(17)25-15-8-6-13(7-9-15)11-21-19(23)16-10-14(22)12-20-16/h2-9,14,16,20,22H,10-12H2,1H3,(H,21,23)/t14-,16-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124685831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).