2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride

C15H23ClN2O3 — CID 120992034

IUPAC2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)C1Oc2ccccc2C1C.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-9-11-6-4-5-7-13(11)20-14(9)10(2)17-15(18)12(16)8-19-3;/h4-7,9-10,12,14H,8,16H2,1-3H3,(H,17,18);1H
InChIKeyDIACLHFNRVQDBY-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.45
Rot. Bonds5

About 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride (PubChem CID 120992034) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
PubChem CID120992034
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)C1Oc2ccccc2C1C.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-9-11-6-4-5-7-13(11)20-14(9)10(2)17-15(18)12(16)8-19-3;/h4-7,9-10,12,14H,8,16H2,1-3H3,(H,17,18);1H
InChIKeyDIACLHFNRVQDBY-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride (CID 120992034) is 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride is COCC(N)C(=O)NC(C)C1Oc2ccccc2C1C.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
The InChIKey is DIACLHFNRVQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-9-11-6-4-5-7-13(11)20-14(9)10(2)17-15(18)12(16)8-19-3;/h4-7,9-10,12,14H,8,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).