N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C20H22N2O2 — CID 87012320

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC1Cc2ccccc2O1
InChIInChI=1S/C20H22N2O2/c23-20(14-22-10-9-15-5-1-2-7-17(15)13-22)21-12-18-11-16-6-3-4-8-19(16)24-18/h1-8,18H,9-14H2,(H,21,23)
InChIKeyDBIUJADIKWMHLV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.16
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 87012320) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID87012320
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)NCC1Cc2ccccc2O1
InChIInChI=1S/C20H22N2O2/c23-20(14-22-10-9-15-5-1-2-7-17(15)13-22)21-12-18-11-16-6-3-4-8-19(16)24-18/h1-8,18H,9-14H2,(H,21,23)
InChIKeyDBIUJADIKWMHLV-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-4-[2-(ethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 35676181
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 120760377
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 92603164
(2R)-1-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703360
(3S,4S)-1-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953759
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 94096617
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106984
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 87012320) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is DBIUJADIKWMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(14-22-10-9-15-5-1-2-7-17(15)13-22)21-12-18-11-16-6-3-4-8-19(16)24-18/h1-8,18H,9-14H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 87012320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).