N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C16H22N2O2 — CID 14528128

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cccc2c1OCC2
InChIInChI=1S/C16H22N2O2/c1-2-18-9-4-6-13(18)11-17-16(19)14-7-3-5-12-8-10-20-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySUQDJPATQUWVDW-ZDUSSCGKSA-N
MW274.36 g/mol
LogP1.84
Rot. Bonds4

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 14528128) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID14528128
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cccc2c1OCC2
InChIInChI=1S/C16H22N2O2/c1-2-18-9-4-6-13(18)11-17-16(19)14-7-3-5-12-8-10-20-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySUQDJPATQUWVDW-ZDUSSCGKSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 14528128) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cccc2c1OCC2.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is SUQDJPATQUWVDW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18-9-4-6-13(18)11-17-16(19)14-7-3-5-12-8-10-20-15(12)14/h3,5,7,13H,2,4,6,8-11H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 14528128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).