N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide

C17H18N2O3 — CID 125440918

IUPACN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC[C@@H]1Cc2cc(CNC(=O)Cn3ccccc3=O)ccc2O1
InChIInChI=1S/C17H18N2O3/c1-12-8-14-9-13(5-6-15(14)22-12)10-18-16(20)11-19-7-3-2-4-17(19)21/h2-7,9,12H,8,10-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyZNVFSBLLQSYPHT-GFCCVEGCSA-N
MW298.34 g/mol
LogP1.49
Rot. Bonds4

About N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 125440918) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID125440918
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESC[C@@H]1Cc2cc(CNC(=O)Cn3ccccc3=O)ccc2O1
InChIInChI=1S/C17H18N2O3/c1-12-8-14-9-13(5-6-15(14)22-12)10-18-16(20)11-19-7-3-2-4-17(19)21/h2-7,9,12H,8,10-11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyZNVFSBLLQSYPHT-GFCCVEGCSA-N
XLogP1.49
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060754
2-(11-benzyl-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]acetamide
CID 110067682
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
1-methyl-N-[[4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 166185798
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39945277
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
CID 93486204
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45165593
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 125440918) is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide is C[C@@H]1Cc2cc(CNC(=O)Cn3ccccc3=O)ccc2O1.
What is the InChIKey of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is ZNVFSBLLQSYPHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-8-14-9-13(5-6-15(14)22-12)10-18-16(20)11-19-7-3-2-4-17(19)21/h2-7,9,12H,8,10-11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 125440918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).