2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

C14H20N2O2 — CID 61400257

IUPAC2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-16-6-5-12(10-16)9-15-14(18)8-11-3-2-4-13(17)7-11/h2-4,7,12,17H,5-6,8-10H2,1H3,(H,15,18)
InChIKeyMSOJNTMFDGRVEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide

2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 61400257) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
PubChem CID61400257
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-16-6-5-12(10-16)9-15-14(18)8-11-3-2-4-13(17)7-11/h2-4,7,12,17H,5-6,8-10H2,1H3,(H,15,18)
InChIKeyMSOJNTMFDGRVEC-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346
2-(2-bromo-5-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 122148776
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide (CID 61400257) is 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is CN1CCC(CNC(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is MSOJNTMFDGRVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-6-5-12(10-16)9-15-14(18)8-11-3-2-4-13(17)7-11/h2-4,7,12,17H,5-6,8-10H2,1H3,(H,15,18).
What are the key properties of 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide?
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 61400257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).