(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide

C15H20N2O3 — CID 136585837

IUPAC(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide
SMILESCCO[C@H]1CCN(C(=O)Nc2cccc3c2OCC3)C1
InChIInChI=1S/C15H20N2O3/c1-2-19-12-6-8-17(10-12)15(18)16-13-5-3-4-11-7-9-20-14(11)13/h3-5,12H,2,6-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyQWOSIGGYLDPKKD-LBPRGKRZSA-N
MW276.34 g/mol
LogP2.26
Rot. Bonds3

About (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide

(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide (PubChem CID 136585837) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide
PubChem CID136585837
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide
SMILESCCO[C@H]1CCN(C(=O)Nc2cccc3c2OCC3)C1
InChIInChI=1S/C15H20N2O3/c1-2-19-12-6-8-17(10-12)15(18)16-13-5-3-4-11-7-9-20-14(11)13/h3-5,12H,2,6-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyQWOSIGGYLDPKKD-LBPRGKRZSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide (CID 136585837) is (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide is CCO[C@H]1CCN(C(=O)Nc2cccc3c2OCC3)C1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide?
The InChIKey is QWOSIGGYLDPKKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-19-12-6-8-17(10-12)15(18)16-13-5-3-4-11-7-9-20-14(11)13/h3-5,12H,2,6-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide?
(3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dihydro-1-benzofuran-7-yl)-3-ethoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 136585837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).