2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C15H21ClN2O3 — CID 120787891

IUPAC2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)CCO2)C1CCOCC1
InChIInChI=1S/C15H20N2O3.ClH/c16-14(10-3-6-19-7-4-10)15(18)17-12-1-2-13-11(9-12)5-8-20-13;/h1-2,9-10,14H,3-8,16H2,(H,17,18);1H
InChIKeyOWFIINLSTHKGFN-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120787891) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120787891
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)CCO2)C1CCOCC1
InChIInChI=1S/C15H20N2O3.ClH/c16-14(10-3-6-19-7-4-10)15(18)17-12-1-2-13-11(9-12)5-8-20-13;/h1-2,9-10,14H,3-8,16H2,(H,17,18);1H
InChIKeyOWFIINLSTHKGFN-UHFFFAOYSA-N
XLogP1.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784707
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795315
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120787891) is 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc2c(c1)CCO2)C1CCOCC1.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is OWFIINLSTHKGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c16-14(10-3-6-19-7-4-10)15(18)17-12-1-2-13-11(9-12)5-8-20-13;/h1-2,9-10,14H,3-8,16H2,(H,17,18);1H.
What are the key properties of 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120787891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).