3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide

C24H30N3O2+ — CID 7872799

IUPAC3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-29-20-11-8-18(9-12-20)23(27-14-4-5-15-27)17-26-24(28)13-10-19-16-25-22-7-3-2-6-21(19)22/h2-3,6-9,11-12,16,23,25H,4-5,10,13-15,17H2,1H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyIFVYWZSWLZTYHG-HSZRJFAPSA-O
MW392.52 g/mol
LogP2.65
Rot. Bonds8

About 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide

3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide (PubChem CID 7872799) has the molecular formula C24H30N3O2+ and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
PubChem CID7872799
Molecular FormulaC24H30N3O2+
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1
InChIInChI=1S/C24H29N3O2/c1-29-20-11-8-18(9-12-20)23(27-14-4-5-15-27)17-26-24(28)13-10-19-16-25-22-7-3-2-6-21(19)22/h2-3,6-9,11-12,16,23,25H,4-5,10,13-15,17H2,1H3,(H,26,28)/p+1/t23-/m1/s1
InChIKeyIFVYWZSWLZTYHG-HSZRJFAPSA-O
XLogP2.65
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 43003309
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594380
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 7594382
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9269367
3-(1H-indol-3-yl)-1-[4-[(R)-(4-methoxyphenyl)-phenylmethyl]piperazin-4-ium-1-yl]propan-1-one
CID 6989848
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
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CID 66109220

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide (CID 7872799) is 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)CCc2c[nH]c3ccccc23)[NH+]2CCCC2)cc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide?
The InChIKey is IFVYWZSWLZTYHG-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H29N3O2/c1-29-20-11-8-18(9-12-20)23(27-14-4-5-15-27)17-26-24(28)13-10-19-16-25-22-7-3-2-6-21(19)22/h2-3,6-9,11-12,16,23,25H,4-5,10,13-15,17H2,1H3,(H,26,28)/p+1/t23-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide?
3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide has a molecular weight of 392.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide is sourced from PubChem (CID 7872799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).