N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide

C17H24N2O3 — CID 166616269

IUPACN-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H24N2O3/c1-13(20)18-8-3-6-17(22)19-9-7-15(12-19)10-14-4-2-5-16(21)11-14/h2,4-5,11,15,21H,3,6-10,12H2,1H3,(H,18,20)
InChIKeySLQVTPXWOLGTHB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds6

About N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide

N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide (PubChem CID 166616269) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide
PubChem CID166616269
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCC(Cc2cccc(O)c2)C1
InChIInChI=1S/C17H24N2O3/c1-13(20)18-8-3-6-17(22)19-9-7-15(12-19)10-14-4-2-5-16(21)11-14/h2,4-5,11,15,21H,3,6-10,12H2,1H3,(H,18,20)
InChIKeySLQVTPXWOLGTHB-UHFFFAOYSA-N
XLogP1.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
3-[(1-butanoylpyrrolidin-3-yl)methyl]benzoic acid
CID 56904595
3-cyclopropyl-1-[3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]propan-1-one
CID 72847288
2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 166619515
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
3-[[(3R)-1-(4-sulfamoylbutanoyl)pyrrolidin-3-yl]methyl]benzamide
CID 95724298
1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 157265022
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
3-(3-hydroxyphenyl)-1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 77081008
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[3-[(4-methylphenyl)methylamino]phenyl]methanone
CID 166614914
4-(1,3-dihydroisoindol-2-yl)-1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 166618263

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide?
The IUPAC name of N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide (CID 166616269) is N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)N1CCC(Cc2cccc(O)c2)C1.
What is the InChIKey of N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide?
The InChIKey is SLQVTPXWOLGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)18-8-3-6-17(22)19-9-7-15(12-19)10-14-4-2-5-16(21)11-14/h2,4-5,11,15,21H,3,6-10,12H2,1H3,(H,18,20).
What are the key properties of N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide?
N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide is sourced from PubChem (CID 166616269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).