methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate

C14H19NO3 — CID 115128392

IUPACmethyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO3/c1-14(2,13(16)17-4)15(3)11-5-6-12-10(9-11)7-8-18-12/h5-6,9H,7-8H2,1-4H3
InChIKeyWNCYOUJABFBPCG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate

methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate (PubChem CID 115128392) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
PubChem CID115128392
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO3/c1-14(2,13(16)17-4)15(3)11-5-6-12-10(9-11)7-8-18-12/h5-6,9H,7-8H2,1-4H3
InChIKeyWNCYOUJABFBPCG-UHFFFAOYSA-N
XLogP2.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171247194
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
methyl 2-(3-bromo-4-methoxy-N-methylanilino)-2-methylpropanoate
CID 115128349
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
CID 105475567
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate (CID 115128392) is methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)c1ccc2c(c1)CCO2.
What is the InChIKey of methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate?
The InChIKey is WNCYOUJABFBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,13(16)17-4)15(3)11-5-6-12-10(9-11)7-8-18-12/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate?
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).