2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

C20H24N2O2 — CID 90619766

IUPAC2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16-7-5-11-19(13-16)24-15-20(23)21-14-18-10-6-12-22(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,21,23)
InChIKeyGKTYCXSEIQUJCJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.16
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide

2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 90619766) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
PubChem CID90619766
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
SMILESCc1cccc(OCC(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-16-7-5-11-19(13-16)24-15-20(23)21-14-18-10-6-12-22(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,21,23)
InChIKeyGKTYCXSEIQUJCJ-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
2-ethoxy-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99903447
3-(2-methylphenyl)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883089
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619793
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenoxyacetamide
CID 110327784
2-naphthalen-1-yl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619918
1-(2-bromophenyl)-3-[[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea
CID 10110806
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide (CID 90619766) is 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is Cc1cccc(OCC(=O)NCC2CCCN2c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is GKTYCXSEIQUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-7-5-11-19(13-16)24-15-20(23)21-14-18-10-6-12-22(18)17-8-3-2-4-9-17/h2-5,7-9,11,13,18H,6,10,12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide?
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 90619766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).