(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C19H28N2O3 — CID 70748966

IUPAC(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccccc1C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C19H28N2O3/c1-2-15-5-3-4-6-18(15)19(23)21-12-16(17(13-21)14-22)11-20-7-9-24-10-8-20/h3-6,16-17,22H,2,7-14H2,1H3/t16-,17-/m1/s1
InChIKeyGLGAVKCEFZJSQA-IAGOWNOFSA-N
MW332.44 g/mol
LogP1.26
Rot. Bonds5

About (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 70748966) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID70748966
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ccccc1C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1
InChIInChI=1S/C19H28N2O3/c1-2-15-5-3-4-6-18(15)19(23)21-12-16(17(13-21)14-22)11-20-7-9-24-10-8-20/h3-6,16-17,22H,2,7-14H2,1H3/t16-,17-/m1/s1
InChIKeyGLGAVKCEFZJSQA-IAGOWNOFSA-N
XLogP1.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ST012869
CID 779502
2-[4-(2,6-dimethyl-4-morpholinyl)-4-oxobutyl]-1H-isoindole-1,3(2H)-dione
CID 18108378
(2R,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-5-methyl-3-(morpholine-4-carbonyl)hexanamide
CID 44329673
2-(4-Morpholin-4-yl-4-oxo-butyl)-isoindole-1,3-dione
CID 582363
2-(3-(4-Morpholinyl)propyl)-1H-isoindole-1,3(2H)-dione
CID 201784
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
2-[3-(2,6-Dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 2854448
4-(2-Biphenylylcarbonyl)morpholine
CID 976209
2-(9-Morpholin-4-yl-9-oxononyl)isoindole-1,3-dione
CID 1928493
2-[3-Methyl-1-(morpholinocarbonyl)butyl]-1-isoindolinone
CID 4355783
2-(2-Hydroxy-3-morpholin-4-yl-propyl)-isoindole-1,3-dione
CID 3112589

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 70748966) is (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is CCc1ccccc1C(=O)N1C[C@@H](CN2CCOCC2)[C@@H](CO)C1.
What is the InChIKey of (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GLGAVKCEFZJSQA-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-15-5-3-4-6-18(15)19(23)21-12-16(17(13-21)14-22)11-20-7-9-24-10-8-20/h3-6,16-17,22H,2,7-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 332.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70748966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).