2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide

C21H26N2O3 — CID 98726631

IUPAC2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(17-6-4-3-5-7-17)23-13-12-18(14-23)22-21(24)15-26-20-10-8-19(25-2)9-11-20/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyHGLNKRHPTFOUTI-SJLPKXTDSA-N
MW354.45 g/mol
LogP3.03
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide

2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide (PubChem CID 98726631) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
PubChem CID98726631
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O3/c1-16(17-6-4-3-5-7-17)23-13-12-18(14-23)22-21(24)15-26-20-10-8-19(25-2)9-11-20/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-,18-/m1/s1
InChIKeyHGLNKRHPTFOUTI-SJLPKXTDSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
CID 97214154
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
CID 99808583
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide (CID 98726631) is 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide is COc1ccc(OCC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HGLNKRHPTFOUTI-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(17-6-4-3-5-7-17)23-13-12-18(14-23)22-21(24)15-26-20-10-8-19(25-2)9-11-20/h3-11,16,18H,12-15H2,1-2H3,(H,22,24)/t16-,18-/m1/s1.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide?
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 98726631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).