N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C22H25NO5 — CID 36840872

IUPACN,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H25NO5/c1-25-14-12-23(13-15-26-2)22(24)21-19(16-27-17-8-4-3-5-9-17)18-10-6-7-11-20(18)28-21/h3-11H,12-16H2,1-2H3
InChIKeyJLVMGYFAJBKSPR-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.75
Rot. Bonds10

About N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 36840872) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID36840872
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(CCOC)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C22H25NO5/c1-25-14-12-23(13-15-26-2)22(24)21-19(16-27-17-8-4-3-5-9-17)18-10-6-7-11-20(18)28-21/h3-11H,12-16H2,1-2H3
InChIKeyJLVMGYFAJBKSPR-UHFFFAOYSA-N
XLogP3.75
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-methoxyethyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 47084036
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8526816
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-(2-anilino-2-oxoethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 46808303
N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55744913
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 36840872) is N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is COCCN(CCOC)C(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JLVMGYFAJBKSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-14-12-23(13-15-26-2)22(24)21-19(16-27-17-8-4-3-5-9-17)18-10-6-7-11-20(18)28-21/h3-11H,12-16H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 36840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).