N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide

C15H17NO3 — CID 115699680

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c1-11(2)10-18-8-7-16-15(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9H,1,7-8,10H2,2H3,(H,16,17)
InChIKeyVAIIWVGQUOWXSA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 115699680) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
PubChem CID115699680
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c1-11(2)10-18-8-7-16-15(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9H,1,7-8,10H2,2H3,(H,16,17)
InChIKeyVAIIWVGQUOWXSA-UHFFFAOYSA-N
XLogP2.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide (CID 115699680) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide is C=C(C)COCCNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VAIIWVGQUOWXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(2)10-18-8-7-16-15(17)14-9-12-5-3-4-6-13(12)19-14/h3-6,9H,1,7-8,10H2,2H3,(H,16,17).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115699680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).