N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide

C24H28N2O7 — CID 87108504

IUPACN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCCC(NC(=O)c1oc2ccccc2c1COCCOC)Oc1ccc(C(=O)NO)cc1
InChIInChI=1S/C24H28N2O7/c1-3-6-21(32-17-11-9-16(10-12-17)23(27)26-29)25-24(28)22-19(15-31-14-13-30-2)18-7-4-5-8-20(18)33-22/h4-5,7-12,21,29H,3,6,13-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBZFYJEDWEUQBCD-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.65
Rot. Bonds12

About N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 87108504) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID87108504
Molecular FormulaC24H28N2O7
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCCC(NC(=O)c1oc2ccccc2c1COCCOC)Oc1ccc(C(=O)NO)cc1
InChIInChI=1S/C24H28N2O7/c1-3-6-21(32-17-11-9-16(10-12-17)23(27)26-29)25-24(28)22-19(15-31-14-13-30-2)18-7-4-5-8-20(18)33-22/h4-5,7-12,21,29H,3,6,13-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBZFYJEDWEUQBCD-UHFFFAOYSA-N
XLogP3.65
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87641117
3-(2-ethoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120654
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-2,3-dihydro-1H-isoindole-1-carboxamide
CID 87107929
(2S)-2-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]-4-methylpentanoic acid
CID 119360844
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 55335651
3-(methoxymethyl)-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148702
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
CID 89213471

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide (CID 87108504) is N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide is CCCC(NC(=O)c1oc2ccccc2c1COCCOC)Oc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is BZFYJEDWEUQBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-3-6-21(32-17-11-9-16(10-12-17)23(27)26-29)25-24(28)22-19(15-31-14-13-30-2)18-7-4-5-8-20(18)33-22/h4-5,7-12,21,29H,3,6,13-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.65, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenoxy]butyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87108504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).