5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide

C14H20N2O2 — CID 106237490

IUPAC5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
SMILESNC(=O)CCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c15-14(17)7-3-4-8-16-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H2,15,17)
InChIKeyDKTHWVNUSRFPJN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds7

About 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide

5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide (PubChem CID 106237490) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
PubChem CID106237490
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
SMILESNC(=O)CCCCNCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c15-14(17)7-3-4-8-16-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H2,15,17)
InChIKeyDKTHWVNUSRFPJN-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
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-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]benzamide
CID 19065262
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butanamide
CID 110185473
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hex-5-yn-1-amine
CID 106212017
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
CID 19065269
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide (CID 106237490) is 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide is NC(=O)CCCCNCC1Cc2ccccc2O1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide?
The InChIKey is DKTHWVNUSRFPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)7-3-4-8-16-10-12-9-11-5-1-2-6-13(11)18-12/h1-2,5-6,12,16H,3-4,7-10H2,(H2,15,17).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide?
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide is sourced from PubChem (CID 106237490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).