N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

C20H22N2O3 — CID 22447957

IUPACN-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c23-14-18-7-4-12-22(18)13-19(24)21-17-10-8-16(9-11-17)20(25)15-5-2-1-3-6-15/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,21,24)
InChIKeyXNUKIYHGXUKHLO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.31
Rot. Bonds6

About N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide

N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (PubChem CID 22447957) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
PubChem CID22447957
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1CO)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c23-14-18-7-4-12-22(18)13-19(24)21-17-10-8-16(9-11-17)20(25)15-5-2-1-3-6-15/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,21,24)
InChIKeyXNUKIYHGXUKHLO-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62014172
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 62046547
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
CID 116637743
N-(3,5-difluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942185
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide (CID 22447957) is N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1CO)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is XNUKIYHGXUKHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-14-18-7-4-12-22(18)13-19(24)21-17-10-8-16(9-11-17)20(25)15-5-2-1-3-6-15/h1-3,5-6,8-11,18,23H,4,7,12-14H2,(H,21,24).
What are the key properties of N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide?
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 22447957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).