(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide

C14H20N2O2 — CID 79012981

IUPAC(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-9(2)13(15)14(17)16-8-11-7-10-5-3-4-6-12(10)18-11/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyZUSAVLOBHNZJAB-GLGOKHISSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds4

About (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide (PubChem CID 79012981) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
PubChem CID79012981
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-9(2)13(15)14(17)16-8-11-7-10-5-3-4-6-12(10)18-11/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1
InChIKeyZUSAVLOBHNZJAB-GLGOKHISSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 62233556
N-[2-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928524
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55621096
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide (CID 79012981) is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide?
The InChIKey is ZUSAVLOBHNZJAB-GLGOKHISSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)13(15)14(17)16-8-11-7-10-5-3-4-6-12(10)18-11/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,17)/t11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide?
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide has a molecular weight of 248.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 79012981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).