(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide

C20H25N3O2 — CID 128986828

IUPAC(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C20H25N3O2/c1-3-23-10-9-21-19(23)18-17(8-11-25-18)20(24)22(2)16-12-14-6-4-5-7-15(14)13-16/h4-7,9-10,16-18H,3,8,11-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyMPKPPOJUFFAANU-QZTJIDSGSA-N
MW339.44 g/mol
LogP2.61
Rot. Bonds4

About (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide

(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide (PubChem CID 128986828) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
PubChem CID128986828
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C20H25N3O2/c1-3-23-10-9-21-19(23)18-17(8-11-25-18)20(24)22(2)16-12-14-6-4-5-7-15(14)13-16/h4-7,9-10,16-18H,3,8,11-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyMPKPPOJUFFAANU-QZTJIDSGSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide (CID 128986828) is (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)C1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide?
The InChIKey is MPKPPOJUFFAANU-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-23-10-9-21-19(23)18-17(8-11-25-18)20(24)22(2)16-12-14-6-4-5-7-15(14)13-16/h4-7,9-10,16-18H,3,8,11-13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide?
(2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-ethylimidazol-2-yl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 128986828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).