2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide

C22H28N2O3 — CID 110403913

IUPAC2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C22H28N2O3/c1-26-20-11-5-6-12-21(20)27-17-22(25)23-16-19(24-13-7-8-14-24)15-18-9-3-2-4-10-18/h2-6,9-12,19H,7-8,13-17H2,1H3,(H,23,25)
InChIKeyPNLDKDJOXAHQBO-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.90
Rot. Bonds9

About 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide

2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 110403913) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
PubChem CID110403913
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C22H28N2O3/c1-26-20-11-5-6-12-21(20)27-17-22(25)23-16-19(24-13-7-8-14-24)15-18-9-3-2-4-10-18/h2-6,9-12,19H,7-8,13-17H2,1H3,(H,23,25)
InChIKeyPNLDKDJOXAHQBO-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
2-(2-methoxyphenoxy)-N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506458
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
2-(2-methoxyphenoxy)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 112502471
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide (CID 110403913) is 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide is COc1ccccc1OCC(=O)NCC(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is PNLDKDJOXAHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-11-5-6-12-21(20)27-17-22(25)23-16-19(24-13-7-8-14-24)15-18-9-3-2-4-10-18/h2-6,9-12,19H,7-8,13-17H2,1H3,(H,23,25).
What are the key properties of 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide?
2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 110403913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).