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

C14H20N2O2 — CID 54896354

IUPAC2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-2-5-12(15)14(17)16-9-11-8-10-6-3-4-7-13(10)18-11/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17)
InChIKeyVTUSIXWJVXBFES-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds5

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

2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide (PubChem CID 54896354) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
PubChem CID54896354
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
SMILESCCCC(N)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-2-5-12(15)14(17)16-9-11-8-10-6-3-4-7-13(10)18-11/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17)
InChIKeyVTUSIXWJVXBFES-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
2-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 62233556
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
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
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide (CID 54896354) is 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide is CCCC(N)C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
The InChIKey is VTUSIXWJVXBFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-5-12(15)14(17)16-9-11-8-10-6-3-4-7-13(10)18-11/h3-4,6-7,11-12H,2,5,8-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide?
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide is sourced from PubChem (CID 54896354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).