3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide

C13H18N2O2 — CID 62325690

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)6-7-15-9-11-8-10-4-2-3-5-12(10)17-11/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyZQDQNJROYIJPNI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide (PubChem CID 62325690) 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)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
PubChem CID62325690
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCC1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)6-7-15-9-11-8-10-4-2-3-5-12(10)17-11/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyZQDQNJROYIJPNI-UHFFFAOYSA-N
XLogP0.72
TPSA50.36 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 ≤ 50.72
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

3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-N-methylpropanamide
CID 66393370
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489564
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
CID 19065269
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-(3-methylbutyl)acetamide
CID 61487190
N-butan-2-yl-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)acetamide
CID 54897709
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 54895983

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide (CID 62325690) is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide is CNC(=O)CCNCC1Cc2ccccc2O1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide?
The InChIKey is ZQDQNJROYIJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-13(16)6-7-15-9-11-8-10-4-2-3-5-12(10)17-11/h2-5,11,15H,6-9H2,1H3,(H,14,16).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide?
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 0.72, 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)-N-methylpropanamide is sourced from PubChem (CID 62325690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).