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

C24H29N3O2 — CID 2552209

IUPAC3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccccc1[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C24H29N3O2/c1-29-23-11-5-3-9-20(23)22(27-14-6-7-15-27)17-26-24(28)13-12-18-16-25-21-10-4-2-8-19(18)21/h2-5,8-11,16,22,25H,6-7,12-15,17H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyDTEVWWNOMKIIOG-JOCHJYFZSA-N
MW391.52 g/mol
LogP4.06
Rot. Bonds8

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

3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 2552209) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID2552209
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccccc1[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C24H29N3O2/c1-29-23-11-5-3-9-20(23)22(27-14-6-7-15-27)17-26-24(28)13-12-18-16-25-21-10-4-2-8-19(18)21/h2-5,8-11,16,22,25H,6-7,12-15,17H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeyDTEVWWNOMKIIOG-JOCHJYFZSA-N
XLogP4.06
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 4807743
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46521724
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 43044903
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(1H-indol-3-yl)butanamide
CID 18161354
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 2552209) is 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccccc1[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is DTEVWWNOMKIIOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-23-11-5-3-9-20(23)22(27-14-6-7-15-27)17-26-24(28)13-12-18-16-25-21-10-4-2-8-19(18)21/h2-5,8-11,16,22,25H,6-7,12-15,17H2,1H3,(H,26,28)/t22-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 391.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 2552209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).