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

C13H18N2O2 — CID 115676291

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-9(6-13(14)16)15-8-11-7-10-4-2-3-5-12(10)17-11/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16)
InChIKeyYQSHOCKOILAFLA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.84
Rot. Bonds5

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

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide (PubChem CID 115676291) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
PubChem CID115676291
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-9(6-13(14)16)15-8-11-7-10-4-2-3-5-12(10)17-11/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16)
InChIKeyYQSHOCKOILAFLA-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide (CID 115676291) is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide is CC(CC(N)=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide?
The InChIKey is YQSHOCKOILAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(6-13(14)16)15-8-11-7-10-4-2-3-5-12(10)17-11/h2-5,9,11,15H,6-8H2,1H3,(H2,14,16).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide?
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide has a molecular weight of 234.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide is sourced from PubChem (CID 115676291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).