(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide

C16H22N2O2 — CID 124739506

IUPAC(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide
SMILESCCN1Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C)c2C1
InChIInChI=1S/C16H22N2O2/c1-3-18-9-12-5-4-6-15(14(12)10-18)17-16(19)13-7-8-20-11(13)2/h4-6,11,13H,3,7-10H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeySUCQMVDTEDEXFG-AAEUAGOBSA-N
MW274.36 g/mol
LogP2.39
Rot. Bonds3

About (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide

(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide (PubChem CID 124739506) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide
PubChem CID124739506
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide
SMILESCCN1Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C)c2C1
InChIInChI=1S/C16H22N2O2/c1-3-18-9-12-5-4-6-15(14(12)10-18)17-16(19)13-7-8-20-11(13)2/h4-6,11,13H,3,7-10H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeySUCQMVDTEDEXFG-AAEUAGOBSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide (CID 124739506) is (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide is CCN1Cc2cccc(NC(=O)[C@H]3CCO[C@H]3C)c2C1.
What is the InChIKey of (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide?
The InChIKey is SUCQMVDTEDEXFG-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18-9-12-5-4-6-15(14(12)10-18)17-16(19)13-7-8-20-11(13)2/h4-6,11,13H,3,7-10H2,1-2H3,(H,17,19)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide?
(2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2-ethyl-1,3-dihydroisoindol-4-yl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 124739506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).