N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide

C18H20N2O2 — CID 19065269

IUPACN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCNCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(14-6-2-1-3-7-14)20-11-10-19-13-16-12-15-8-4-5-9-17(15)22-16/h1-9,16,19H,10-13H2,(H,20,21)
InChIKeyFQLMZURXPAQJDN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.01
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide

N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide (PubChem CID 19065269) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
PubChem CID19065269
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCNCC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(14-6-2-1-3-7-14)20-11-10-19-13-16-12-15-8-4-5-9-17(15)22-16/h1-9,16,19H,10-13H2,(H,20,21)
InChIKeyFQLMZURXPAQJDN-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
CID 19065262
N-[2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]ethyl]-4-fluorobenzamide;hydrochloride
CID 139824743
N-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111949083
N-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111949082
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide (CID 19065269) is N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide is O=C(NCCNCC1Cc2ccccc2O1)c1ccccc1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide?
The InChIKey is FQLMZURXPAQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(14-6-2-1-3-7-14)20-11-10-19-13-16-12-15-8-4-5-9-17(15)22-16/h1-9,16,19H,10-13H2,(H,20,21).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide?
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 19065269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).