N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C21H23NO3 — CID 86836535

IUPACN-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C21H23NO3/c1-5-24-12-16-8-6-7-9-17(16)22-21(23)20-15(4)18-13(2)10-11-14(3)19(18)25-20/h6-11H,5,12H2,1-4H3,(H,22,23)
InChIKeyVHTSVZHEAZRXTN-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.15
Rot. Bonds5

About N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 86836535) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID86836535
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C
InChIInChI=1S/C21H23NO3/c1-5-24-12-16-8-6-7-9-17(16)22-21(23)20-15(4)18-13(2)10-11-14(3)19(18)25-20/h6-11H,5,12H2,1-4H3,(H,22,23)
InChIKeyVHTSVZHEAZRXTN-UHFFFAOYSA-N
XLogP5.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119440832
3,4,7-trimethyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 52743373
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 60578796
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 86836535) is N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is CCOCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is VHTSVZHEAZRXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-24-12-16-8-6-7-9-17(16)22-21(23)20-15(4)18-13(2)10-11-14(3)19(18)25-20/h6-11H,5,12H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86836535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).