2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide

C13H18N2O4 — CID 106671846

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H18N2O4/c1-19-10-4-2-9(3-5-10)14-13(18)8-15-6-11(16)12(17)7-15/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18)
InChIKeyXKPJCXJPNRJXML-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.33
Rot. Bonds4

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 106671846) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID106671846
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H18N2O4/c1-19-10-4-2-9(3-5-10)14-13(18)8-15-6-11(16)12(17)7-15/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18)
InChIKeyXKPJCXJPNRJXML-UHFFFAOYSA-N
XLogP-0.33
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(4-methoxyphenyl)-2-(4-methylidenepiperidin-1-yl)acetamide
CID 172904356
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 120760845
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 586701
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide (CID 106671846) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CC(O)C(O)C2)cc1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is XKPJCXJPNRJXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-10-4-2-9(3-5-10)14-13(18)8-15-6-11(16)12(17)7-15/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 106671846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).