2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

C19H22N2O2 — CID 119687297

IUPAC2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CNc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-9-15(10-12-17)18-8-5-13-21(18)19(22)14-20-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3
InChIKeyRWNYIUGZBRMYGV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.47
Rot. Bonds5

About 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 119687297) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID119687297
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C2CCCN2C(=O)CNc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-11-9-15(10-12-17)18-8-5-13-21(18)19(22)14-20-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3
InChIKeyRWNYIUGZBRMYGV-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94457866
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 51254000
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42920541
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 119877957
N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60552023
5-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 124687464
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119877956
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 119687297) is 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(C2CCCN2C(=O)CNc2ccccc2)cc1.
What is the InChIKey of 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is RWNYIUGZBRMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-11-9-15(10-12-17)18-8-5-13-21(18)19(22)14-20-16-6-3-2-4-7-16/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3.
What are the key properties of 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119687297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).