N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

C21H26N2O2 — CID 95313734

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)11-13-22-21(24)16-23-14-12-19(15-23)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyOLAMYHPCTYIPPX-IBGZPJMESA-N
MW338.45 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95313734) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95313734
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)11-13-22-21(24)16-23-14-12-19(15-23)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyOLAMYHPCTYIPPX-IBGZPJMESA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541171
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (CID 95313734) is N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is COc1ccc(CCNC(=O)CN2CC[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is OLAMYHPCTYIPPX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-7-17(8-10-20)11-13-22-21(24)16-23-14-12-19(15-23)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95313734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).