3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

C17H22N2O2 — CID 35220767

IUPAC3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCO1
InChIInChI=1S/C17H22N2O2/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,16,18H,4,7-10H2,1H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyCXYWIAYWBMLNML-MLGOLLRUSA-N
MW286.37 g/mol
LogP2.78
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (PubChem CID 35220767) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
PubChem CID35220767
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCO1
InChIInChI=1S/C17H22N2O2/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,16,18H,4,7-10H2,1H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyCXYWIAYWBMLNML-MLGOLLRUSA-N
XLogP2.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1H-indol-3-yl)propyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
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N-[1-(oxolan-2-yl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
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3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (CID 35220767) is 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)[C@H]1CCCO1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is CXYWIAYWBMLNML-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(16-7-4-10-21-16)19-17(20)9-8-13-11-18-15-6-3-2-5-14(13)15/h2-3,5-6,11-12,16,18H,4,7-10H2,1H3,(H,19,20)/t12-,16-/m1/s1.
What are the key properties of 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 286.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 35220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).