N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide

C15H17NO3 — CID 115776106

IUPACN-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CCO)C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C15H17NO3/c1-3-8-16(9-10-17)15(18)14-11(2)12-6-4-5-7-13(12)19-14/h3-7,17H,1,8-10H2,2H3
InChIKeyHIGZXCGPOCHRHW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.36
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide

N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide (PubChem CID 115776106) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
PubChem CID115776106
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CCO)C(=O)c1oc2ccccc2c1C
InChIInChI=1S/C15H17NO3/c1-3-8-16(9-10-17)15(18)14-11(2)12-6-4-5-7-13(12)19-14/h3-7,17H,1,8-10H2,2H3
InChIKeyHIGZXCGPOCHRHW-UHFFFAOYSA-N
XLogP2.36
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 56531109
N-cyclobutyl-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102866951
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 86943414
N-(2-hydroxyethyl)-N-prop-2-enyl-1-benzothiophene-3-carboxamide
CID 113340648
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 107482857
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 33005199
1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
CID 84596963
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide (CID 115776106) is N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide is C=CCN(CCO)C(=O)c1oc2ccccc2c1C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide?
The InChIKey is HIGZXCGPOCHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-8-16(9-10-17)15(18)14-11(2)12-6-4-5-7-13(12)19-14/h3-7,17H,1,8-10H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide?
N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115776106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).