N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C14H17NO4 — CID 9205135

IUPACN-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C14H17NO4/c1-17-8-7-15-14(16)13-11(9-18-2)10-5-3-4-6-12(10)19-13/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyZEERSQNWKDFYBV-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.96
Rot. Bonds6

About N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 9205135) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID9205135
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCCNC(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C14H17NO4/c1-17-8-7-15-14(16)13-11(9-18-2)10-5-3-4-6-12(10)19-13/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyZEERSQNWKDFYBV-UHFFFAOYSA-N
XLogP1.96
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241326
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87641117
1-[2-(4-chlorophenyl)ethyl]-3-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]thiourea
CID 9090778
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 9205135) is N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCCNC(=O)c1oc2ccccc2c1COC.
What is the InChIKey of N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZEERSQNWKDFYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-8-7-15-14(16)13-11(9-18-2)10-5-3-4-6-12(10)19-13/h3-6H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9205135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).