(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide

C16H20N2O2 — CID 99826862

IUPAC(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide
SMILESCCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O2/c1-2-18(16(19)15-8-5-9-20-15)11-12-10-17-14-7-4-3-6-13(12)14/h3-4,6-7,10,15,17H,2,5,8-9,11H2,1H3/t15-/m0/s1
InChIKeySBMGHKQTKRWLEX-HNNXBMFYSA-N
MW272.35 g/mol
LogP2.70
Rot. Bonds4

About (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide

(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide (PubChem CID 99826862) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide
PubChem CID99826862
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide
SMILESCCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O2/c1-2-18(16(19)15-8-5-9-20-15)11-12-10-17-14-7-4-3-6-13(12)14/h3-4,6-7,10,15,17H,2,5,8-9,11H2,1H3/t15-/m0/s1
InChIKeySBMGHKQTKRWLEX-HNNXBMFYSA-N
XLogP2.70
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(1H-indol-3-yl)-2-[[(2S)-oxane-2-carbonyl]amino]propanoic acid
CID 124705255
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
(2R)-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 2036915
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
(2S)-N-[3-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 31941052
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide (CID 99826862) is (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide is CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide?
The InChIKey is SBMGHKQTKRWLEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18(16(19)15-8-5-9-20-15)11-12-10-17-14-7-4-3-6-13(12)14/h3-4,6-7,10,15,17H,2,5,8-9,11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide?
(2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(1H-indol-3-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 99826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).