(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide

C23H29N2O3+ — CID 8833759

IUPAC(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide
SMILESCOc1ccc(OC)c([C@@H]2CCC[NH+]2[C@H](C(=O)NC2CC2)c2ccccc2)c1
InChIInChI=1S/C23H28N2O3/c1-27-18-12-13-21(28-2)19(15-18)20-9-6-14-25(20)22(16-7-4-3-5-8-16)23(26)24-17-10-11-17/h3-5,7-8,12-13,15,17,20,22H,6,9-11,14H2,1-2H3,(H,24,26)/p+1/t20-,22-/m0/s1
InChIKeyRABUFTGWKSGPMJ-UNMCSNQZSA-O
MW381.50 g/mol
LogP2.44
Rot. Bonds7

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

(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide (PubChem CID 8833759) has the molecular formula C23H29N2O3+ and a molecular weight of 381.50 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide
PubChem CID8833759
Molecular FormulaC23H29N2O3+
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide
SMILESCOc1ccc(OC)c([C@@H]2CCC[NH+]2[C@H](C(=O)NC2CC2)c2ccccc2)c1
InChIInChI=1S/C23H28N2O3/c1-27-18-12-13-21(28-2)19(15-18)20-9-6-14-25(20)22(16-7-4-3-5-8-16)23(26)24-17-10-11-17/h3-5,7-8,12-13,15,17,20,22H,6,9-11,14H2,1-2H3,(H,24,26)/p+1/t20-,22-/m0/s1
InChIKeyRABUFTGWKSGPMJ-UNMCSNQZSA-O
XLogP2.44
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933891
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933933
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 11933833
(2S)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 8856325
methyl 5-[(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 11933952
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8832363
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 55389938
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8832379
(2R)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934290
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 8832470
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11934246

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide (CID 8833759) is (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide is COc1ccc(OC)c([C@@H]2CCC[NH+]2[C@H](C(=O)NC2CC2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide?
The InChIKey is RABUFTGWKSGPMJ-UNMCSNQZSA-O. The full InChI is InChI=1S/C23H28N2O3/c1-27-18-12-13-21(28-2)19(15-18)20-9-6-14-25(20)22(16-7-4-3-5-8-16)23(26)24-17-10-11-17/h3-5,7-8,12-13,15,17,20,22H,6,9-11,14H2,1-2H3,(H,24,26)/p+1/t20-,22-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide has a molecular weight of 381.50 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-2-phenylacetamide is sourced from PubChem (CID 8833759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).