2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C23H27N3O2 — CID 46521724

IUPAC2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-28-19-8-6-7-17(13-19)22(26-11-4-5-12-26)16-25-23(27)14-18-15-24-21-10-3-2-9-20(18)21/h2-3,6-10,13,15,22,24H,4-5,11-12,14,16H2,1H3,(H,25,27)
InChIKeyCCJABPXUSUKHIH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.67
Rot. Bonds7

About 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 46521724) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID46521724
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCCC2)c1
InChIInChI=1S/C23H27N3O2/c1-28-19-8-6-7-17(13-19)22(26-11-4-5-12-26)16-25-23(27)14-18-15-24-21-10-3-2-9-20(18)21/h2-3,6-10,13,15,22,24H,4-5,11-12,14,16H2,1H3,(H,25,27)
InChIKeyCCJABPXUSUKHIH-UHFFFAOYSA-N
XLogP3.67
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110996667
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 46604603
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 78791561
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 46521724) is 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is COc1cccc(C(CNC(=O)Cc2c[nH]c3ccccc23)N2CCCC2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is CCJABPXUSUKHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-19-8-6-7-17(13-19)22(26-11-4-5-12-26)16-25-23(27)14-18-15-24-21-10-3-2-9-20(18)21/h2-3,6-10,13,15,22,24H,4-5,11-12,14,16H2,1H3,(H,25,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 46521724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).