N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide

C18H20N2O2 — CID 2738883

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-6-4-14(5-7-16)18(21)19-12-13-3-8-17-15(11-13)9-10-22-17/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyVWEPPKRDYZWRHT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.62
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide (PubChem CID 2738883) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
PubChem CID2738883
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H20N2O2/c1-20(2)16-6-4-14(5-7-16)18(21)19-12-13-3-8-17-15(11-13)9-10-22-17/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyVWEPPKRDYZWRHT-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide (CID 2738883) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide?
The InChIKey is VWEPPKRDYZWRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20(2)16-6-4-14(5-7-16)18(21)19-12-13-3-8-17-15(11-13)9-10-22-17/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.62, 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-5-ylmethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 2738883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).