N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide

C19H27N3O2 — CID 97265260

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C19H27N3O2/c1-3-21-11-5-6-15(21)14-20-19(23)10-13-22-12-9-16-17(22)7-4-8-18(16)24-2/h4,7-9,12,15H,3,5-6,10-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyVXQMEGKDPOXADF-HNNXBMFYSA-N
MW329.44 g/mol
LogP2.64
Rot. Bonds7

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide (PubChem CID 97265260) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
PubChem CID97265260
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C19H27N3O2/c1-3-21-11-5-6-15(21)14-20-19(23)10-13-22-12-9-16-17(22)7-4-8-18(16)24-2/h4,7-9,12,15H,3,5-6,10-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyVXQMEGKDPOXADF-HNNXBMFYSA-N
XLogP2.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239933
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1-propan-2-ylindol-4-yl)oxyacetamide
CID 110205323
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862044
3-[(6aS)-9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124679865
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxybenzamide;hydrate;hydrochloride
CID 22734987

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide (CID 97265260) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide is CCN1CCC[C@H]1CNC(=O)CCn1ccc2c(OC)cccc21.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide?
The InChIKey is VXQMEGKDPOXADF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-21-11-5-6-15(21)14-20-19(23)10-13-22-12-9-16-17(22)7-4-8-18(16)24-2/h4,7-9,12,15H,3,5-6,10-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide is sourced from PubChem (CID 97265260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).