2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide

C21H32N2O4 — CID 142090709

IUPAC2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(O)CCCCOc1cccc(CC(=O)NCC(=O)N2CCCC2C)c1
InChIInChI=1S/C21H32N2O4/c1-16-7-6-11-23(16)21(26)15-22-20(25)14-18-9-5-10-19(13-18)27-12-4-3-8-17(2)24/h5,9-10,13,16-17,24H,3-4,6-8,11-12,14-15H2,1-2H3,(H,22,25)
InChIKeyJDAWBVOPXGFACE-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.29
Rot. Bonds10

About 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide

2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 142090709) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide
PubChem CID142090709
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide
SMILESCC(O)CCCCOc1cccc(CC(=O)NCC(=O)N2CCCC2C)c1
InChIInChI=1S/C21H32N2O4/c1-16-7-6-11-23(16)21(26)15-22-20(25)14-18-9-5-10-19(13-18)27-12-4-3-8-17(2)24/h5,9-10,13,16-17,24H,3-4,6-8,11-12,14-15H2,1-2H3,(H,22,25)
InChIKeyJDAWBVOPXGFACE-UHFFFAOYSA-N
XLogP2.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(3-hydroxypropoxy)phenyl]methyl]-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
CID 142090604
2-[3-(methylaminomethyl)phenoxy]-1-(2-methylpiperidin-1-yl)ethanone
CID 106486108
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
ethane;formamide;1-(2-methylpyrrolidin-1-yl)-5-phenoxypentan-1-one
CID 163226216
2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
1-[2-(4-phenoxybutanoylamino)acetyl]pyrrolidine-2-carboxylic acid;toluene
CID 163225404
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide (CID 142090709) is 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide is CC(O)CCCCOc1cccc(CC(=O)NCC(=O)N2CCCC2C)c1.
What is the InChIKey of 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is JDAWBVOPXGFACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16-7-6-11-23(16)21(26)15-22-20(25)14-18-9-5-10-19(13-18)27-12-4-3-8-17(2)24/h5,9-10,13,16-17,24H,3-4,6-8,11-12,14-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide?
2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-hydroxyhexoxy)phenyl]-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 142090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).