(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide

C21H27N3O2 — CID 33473833

IUPAC(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
SMILESCOc1ccc([C@@H](CN[C@H](C(N)=O)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-18-11-9-16(10-12-18)19(24-13-5-6-14-24)15-23-20(21(22)25)17-7-3-2-4-8-17/h2-4,7-12,19-20,23H,5-6,13-15H2,1H3,(H2,22,25)/t19-,20+/m1/s1
InChIKeyPDIHTXLAFCCBJM-UXHICEINSA-N
MW353.47 g/mol
LogP2.65
Rot. Bonds8

About (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide

(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide (PubChem CID 33473833) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
PubChem CID33473833
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
SMILESCOc1ccc([C@@H](CN[C@H](C(N)=O)c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-18-11-9-16(10-12-18)19(24-13-5-6-14-24)15-23-20(21(22)25)17-7-3-2-4-8-17/h2-4,7-12,19-20,23H,5-6,13-15H2,1H3,(H2,22,25)/t19-,20+/m1/s1
InChIKeyPDIHTXLAFCCBJM-UXHICEINSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide (CID 33473833) is (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide is COc1ccc([C@@H](CN[C@H](C(N)=O)c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide?
The InChIKey is PDIHTXLAFCCBJM-UXHICEINSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-18-11-9-16(10-12-18)19(24-13-5-6-14-24)15-23-20(21(22)25)17-7-3-2-4-8-17/h2-4,7-12,19-20,23H,5-6,13-15H2,1H3,(H2,22,25)/t19-,20+/m1/s1.
What are the key properties of (2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide?
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.65, 8 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)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 33473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).