N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C13H18N2O2 — CID 12883574

IUPACN-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CN2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)14-12-4-5-13(17)11(8-12)9-15-6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,14,16)
InChIKeyWYNGTNMOLJOLHQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.95
Rot. Bonds3

About N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide

N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 12883574) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID12883574
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(O)c(CN2CCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-10(16)14-12-4-5-13(17)11(8-12)9-15-6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,14,16)
InChIKeyWYNGTNMOLJOLHQ-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)-4-hydroxyphenyl]acetamide
CID 47070781
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-hydroxyphenyl]ethanone
CID 63158386
1-[4-[(5-amino-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 55004194
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
1-[4-[(5-amino-2-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 43375641

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 12883574) is N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is CC(=O)Nc1ccc(O)c(CN2CCCC2)c1.
What is the InChIKey of N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is WYNGTNMOLJOLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)14-12-4-5-13(17)11(8-12)9-15-6-2-3-7-15/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,14,16).
What are the key properties of N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 12883574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).