2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide

C15H22N2O3 — CID 79411167

IUPAC2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-3-17(12-7-5-4-6-11(12)2)15(20)10-16-8-13(18)14(19)9-16/h4-7,13-14,18-19H,3,8-10H2,1-2H3/t13-,14+
InChIKeyLMLOGLIYTRFJLZ-OKILXGFUSA-N
MW278.35 g/mol
LogP0.39
Rot. Bonds4

About 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide (PubChem CID 79411167) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
PubChem CID79411167
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-3-17(12-7-5-4-6-11(12)2)15(20)10-16-8-13(18)14(19)9-16/h4-7,13-14,18-19H,3,8-10H2,1-2H3/t13-,14+
InChIKeyLMLOGLIYTRFJLZ-OKILXGFUSA-N
XLogP0.39
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-hydroxyazetidin-1-yl)-N-(2-methylphenyl)acetamide
CID 63282299
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 103577314
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 55464520
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62816853
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 124757798
3-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-N-ethyl-N-(2-methylphenyl)propanamide
CID 50968149
N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
CID 55739191
N-ethyl-N-(2-methylphenyl)-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 43036486

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide (CID 79411167) is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide is CCN(C(=O)CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1C.
What is the InChIKey of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide?
The InChIKey is LMLOGLIYTRFJLZ-OKILXGFUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(12-7-5-4-6-11(12)2)15(20)10-16-8-13(18)14(19)9-16/h4-7,13-14,18-19H,3,8-10H2,1-2H3/t13-,14+.
What are the key properties of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide?
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 79411167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).