N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C17H18N2O3 — CID 134004650

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C17H18N2O3/c1-2-21-17-13(7-5-9-18-17)11-19-16(20)15-10-12-6-3-4-8-14(12)22-15/h3-9,15H,2,10-11H2,1H3,(H,19,20)
InChIKeyGBFRSRYFSTVWAM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 134004650) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID134004650
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C17H18N2O3/c1-2-21-17-13(7-5-9-18-17)11-19-16(20)15-10-12-6-3-4-8-14(12)22-15/h3-9,15H,2,10-11H2,1H3,(H,19,20)
InChIKeyGBFRSRYFSTVWAM-UHFFFAOYSA-N
XLogP2.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72894266
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-ethoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111950250
N-[[8-[[5-[(2,3-dihydro-1-benzofuran-2-carbonylamino)methyl]quinolin-8-yl]disulfanyl]quinolin-5-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 90112607
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56749217
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94215493
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51935063
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
(2R)-N-(3-methoxy-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95298416

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 134004650) is N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCOc1ncccc1CNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GBFRSRYFSTVWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-21-17-13(7-5-9-18-17)11-19-16(20)15-10-12-6-3-4-8-14(12)22-15/h3-9,15H,2,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134004650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).