(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

C22H27N3O4 — CID 11933910

IUPAC(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C22H27N3O4/c1-23-22(27)24-21(26)20(15-8-5-4-6-9-15)25-13-7-10-18(25)17-14-16(28-2)11-12-19(17)29-3/h4-6,8-9,11-12,14,18,20H,7,10,13H2,1-3H3,(H2,23,24,26,27)/t18-,20+/m1/s1
InChIKeyUERPQTDCUHXTLT-QUCCMNQESA-N
MW397.48 g/mol
LogP3.04
Rot. Bonds6

About (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 11933910) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID11933910
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cc(OC)ccc1OC
InChIInChI=1S/C22H27N3O4/c1-23-22(27)24-21(26)20(15-8-5-4-6-9-15)25-13-7-10-18(25)17-14-16(28-2)11-12-19(17)29-3/h4-6,8-9,11-12,14,18,20H,7,10,13H2,1-3H3,(H2,23,24,26,27)/t18-,20+/m1/s1
InChIKeyUERPQTDCUHXTLT-QUCCMNQESA-N
XLogP3.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 11933944
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51730149
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933934
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 17441603
(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933842
4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 46636840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (CID 11933910) is (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cc(OC)ccc1OC.
What is the InChIKey of (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is UERPQTDCUHXTLT-QUCCMNQESA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23-22(27)24-21(26)20(15-8-5-4-6-9-15)25-13-7-10-18(25)17-14-16(28-2)11-12-19(17)29-3/h4-6,8-9,11-12,14,18,20H,7,10,13H2,1-3H3,(H2,23,24,26,27)/t18-,20+/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 397.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 11933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).