methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate

C15H19NO3 — CID 43725995

IUPACmethyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16-15(2,3)14(17)18-4)13-9-11-7-5-6-8-12(11)19-13/h5-10,16H,1-4H3
InChIKeyGDNVEHQKPQTCER-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.04
Rot. Bonds4

About methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate

methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate (PubChem CID 43725995) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
PubChem CID43725995
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16-15(2,3)14(17)18-4)13-9-11-7-5-6-8-12(11)19-13/h5-10,16H,1-4H3
InChIKeyGDNVEHQKPQTCER-UHFFFAOYSA-N
XLogP3.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
CID 115574060
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(1-benzofuran-2-yl)ethyl]-3-methoxy-3-methylbutan-1-amine
CID 102978076
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate (CID 43725995) is methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(C)c1cc2ccccc2o1.
What is the InChIKey of methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate?
The InChIKey is GDNVEHQKPQTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(16-15(2,3)14(17)18-4)13-9-11-7-5-6-8-12(11)19-13/h5-10,16H,1-4H3.
What are the key properties of methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate?
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate is sourced from PubChem (CID 43725995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).