(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

C23H28N2O4 — CID 11933842

IUPAC(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-15(23(27)24-18-9-7-17(8-10-18)16(2)26)25-13-5-6-21(25)20-14-19(28-3)11-12-22(20)29-4/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,24,27)/t15-,21+/m0/s1
InChIKeyBUOLYRKSJWPCKR-YCRPNKLZSA-N
MW396.49 g/mol
LogP4.07
Rot. Bonds7

About (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 11933842) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID11933842
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C23H28N2O4/c1-15(23(27)24-18-9-7-17(8-10-18)16(2)26)25-13-5-6-21(25)20-14-19(28-3)11-12-22(20)29-4/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,24,27)/t15-,21+/m0/s1
InChIKeyBUOLYRKSJWPCKR-YCRPNKLZSA-N
XLogP4.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
(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
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 11934315
methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
CID 11934387
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11933997
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934327
(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934325
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934243

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (CID 11933842) is (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is COc1ccc(OC)c([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is BUOLYRKSJWPCKR-YCRPNKLZSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(23(27)24-18-9-7-17(8-10-18)16(2)26)25-13-5-6-21(25)20-14-19(28-3)11-12-22(20)29-4/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,24,27)/t15-,21+/m0/s1.
What are the key properties of (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11933842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).