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

C13H18N2O2 — CID 79012503

IUPAC(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NC1COc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-8(2)12(14)13(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,8,10,12H,7,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyQZUDZDFGUQXEOH-TVKKRMFBSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds3

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

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide (PubChem CID 79012503) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
PubChem CID79012503
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NC1COc2ccccc21
InChIInChI=1S/C13H18N2O2/c1-8(2)12(14)13(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,8,10,12H,7,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeyQZUDZDFGUQXEOH-TVKKRMFBSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119759945
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010010
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
CID 91653348
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-phenylpropanamide
CID 62064676
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide (CID 79012503) is (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NC1COc2ccccc21.
What is the InChIKey of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide?
The InChIKey is QZUDZDFGUQXEOH-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)12(14)13(16)15-10-7-17-11-6-4-3-5-9(10)11/h3-6,8,10,12H,7,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide?
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 3 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-3-yl)-3-methylbutanamide is sourced from PubChem (CID 79012503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).