(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C20H22N2O3 — CID 124516055

IUPAC(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)COC4)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-19-6-3-14(4-7-19)15-8-9-22(11-15)20(23)21-18-5-2-16-12-25-13-17(16)10-18/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyAUWYIIZFJLYSAO-HNNXBMFYSA-N
MW338.41 g/mol
LogP3.75
Rot. Bonds3

About (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide

(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 124516055) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID124516055
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)COC4)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-24-19-6-3-14(4-7-19)15-8-9-22(11-15)20(23)21-18-5-2-16-12-25-13-17(16)10-18/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyAUWYIIZFJLYSAO-HNNXBMFYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69451741
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
N-[4-[2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 122243074
N-[3-[[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111731026
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 124516055) is (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)COC4)C2)cc1.
What is the InChIKey of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is AUWYIIZFJLYSAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-19-6-3-14(4-7-19)15-8-9-22(11-15)20(23)21-18-5-2-16-12-25-13-17(16)10-18/h2-7,10,15H,8-9,11-13H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124516055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).