methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate

C15H19NO3 — CID 115128507

IUPACmethyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-15(2,14(17)18-4)16(3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10H,9H2,1-4H3
InChIKeyLQBVVQORTSIVKD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate

methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate (PubChem CID 115128507) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
PubChem CID115128507
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1coc2ccccc12
InChIInChI=1S/C15H19NO3/c1-15(2,14(17)18-4)16(3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10H,9H2,1-4H3
InChIKeyLQBVVQORTSIVKD-UHFFFAOYSA-N
XLogP2.82
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
2-[1-benzofuran-3-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 80702675
2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 115157997
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate (CID 115128507) is methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)Cc1coc2ccccc12.
What is the InChIKey of methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate?
The InChIKey is LQBVVQORTSIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,14(17)18-4)16(3)9-11-10-19-13-8-6-5-7-12(11)13/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate?
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).