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

C24H29N3O2 — CID 42802261

IUPAC3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cccc(C(CC(=O)NCCN2CCCC2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H29N3O2/c1-29-19-8-6-7-18(15-19)21(22-17-26-23-10-3-2-9-20(22)23)16-24(28)25-11-14-27-12-4-5-13-27/h2-3,6-10,15,17,21,26H,4-5,11-14,16H2,1H3,(H,25,28)
InChIKeyHJWOYMDQVIOTRA-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.91
Rot. Bonds8

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

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 42802261) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID42802261
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1cccc(C(CC(=O)NCCN2CCCC2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H29N3O2/c1-29-19-8-6-7-18(15-19)21(22-17-26-23-10-3-2-9-20(22)23)16-24(28)25-11-14-27-12-4-5-13-27/h2-3,6-10,15,17,21,26H,4-5,11-14,16H2,1H3,(H,25,28)
InChIKeyHJWOYMDQVIOTRA-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 93064292
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 42802265
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 42802261) is 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is COc1cccc(C(CC(=O)NCCN2CCCC2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is HJWOYMDQVIOTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-19-8-6-7-18(15-19)21(22-17-26-23-10-3-2-9-20(22)23)16-24(28)25-11-14-27-12-4-5-13-27/h2-3,6-10,15,17,21,26H,4-5,11-14,16H2,1H3,(H,25,28).
What are the key properties of 3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.91, 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)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 42802261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).