(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide

C19H22N2O3 — CID 72849322

IUPAC(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)N3CCC[C@H]3CO)c2)c1
InChIInChI=1S/C19H22N2O3/c1-24-18-9-3-6-15(12-18)14-5-2-7-16(11-14)20-19(23)21-10-4-8-17(21)13-22/h2-3,5-7,9,11-12,17,22H,4,8,10,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyXCGPISBBXRKLKW-KRWDZBQOSA-N
MW326.40 g/mol
LogP3.35
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 72849322) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID72849322
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)N3CCC[C@H]3CO)c2)c1
InChIInChI=1S/C19H22N2O3/c1-24-18-9-3-6-15(12-18)14-5-2-7-16(11-14)20-19(23)21-10-4-8-17(21)13-22/h2-3,5-7,9,11-12,17,22H,4,8,10,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyXCGPISBBXRKLKW-KRWDZBQOSA-N
XLogP3.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
N-(3-acetylphenyl)-2-(hydroxymethyl)piperidine-1-carboxamide
CID 61346659
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
(2S)-1-N-[4-(3-methoxyphenyl)phenyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 97452585
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 125177307
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide (CID 72849322) is (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide is COc1cccc(-c2cccc(NC(=O)N3CCC[C@H]3CO)c2)c1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XCGPISBBXRKLKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-18-9-3-6-15(12-18)14-5-2-7-16(11-14)20-19(23)21-10-4-8-17(21)13-22/h2-3,5-7,9,11-12,17,22H,4,8,10,13H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 72849322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).