4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide

C13H18N2O2 — CID 79225953

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
SMILESNC(=O)CCCNCC1COc2ccccc21
InChIInChI=1S/C13H18N2O2/c14-13(16)6-3-7-15-8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,10,15H,3,6-9H2,(H2,14,16)
InChIKeyMPYMSBONDFWIHM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide

4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide (PubChem CID 79225953) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
PubChem CID79225953
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
SMILESNC(=O)CCCNCC1COc2ccccc21
InChIInChI=1S/C13H18N2O2/c14-13(16)6-3-7-15-8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,10,15H,3,6-9H2,(H2,14,16)
InChIKeyMPYMSBONDFWIHM-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
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-3-ylmethyl)propane-1,3-diamine
CID 79226752
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butanamide
CID 110185473
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
CID 107320375
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide (CID 79225953) is 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide is NC(=O)CCCNCC1COc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide?
The InChIKey is MPYMSBONDFWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)6-3-7-15-8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,10,15H,3,6-9H2,(H2,14,16).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide?
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide has a molecular weight of 234.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide is sourced from PubChem (CID 79225953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).