(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

C21H25N3O3 — CID 51730149

IUPAC(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-22-21(26)23-20(25)19(16-7-4-3-5-8-16)24-14-6-9-18(24)15-10-12-17(27-2)13-11-15/h3-5,7-8,10-13,18-19H,6,9,14H2,1-2H3,(H2,22,23,25,26)/t18-,19-/m0/s1
InChIKeyFGRRYILPFHMNJX-OALUTQOASA-N
MW367.45 g/mol
LogP3.03
Rot. Bonds5

About (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 51730149) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID51730149
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H25N3O3/c1-22-21(26)23-20(25)19(16-7-4-3-5-8-16)24-14-6-9-18(24)15-10-12-17(27-2)13-11-15/h3-5,7-8,10-13,18-19H,6,9,14H2,1-2H3,(H2,22,23,25,26)/t18-,19-/m0/s1
InChIKeyFGRRYILPFHMNJX-OALUTQOASA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 11933944
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
N-(methylcarbamoyl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 51167810
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452155
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
(2S)-N-carbamoyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975064
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide (CID 51730149) is (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is FGRRYILPFHMNJX-OALUTQOASA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22-21(26)23-20(25)19(16-7-4-3-5-8-16)24-14-6-9-18(24)15-10-12-17(27-2)13-11-15/h3-5,7-8,10-13,18-19H,6,9,14H2,1-2H3,(H2,22,23,25,26)/t18-,19-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 51730149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).