N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide

C22H24N2O6 — CID 91317388

IUPACN-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccccc1OCCNC(=O)c1oc2ccccc2c1COCCCO
InChIInChI=1S/C22H24N2O6/c23-21(26)16-7-2-3-8-18(16)29-13-10-24-22(27)20-17(14-28-12-5-11-25)15-6-1-4-9-19(15)30-20/h1-4,6-9,25H,5,10-14H2,(H2,23,26)(H,24,27)
InChIKeyHUACKDAZNOYXMN-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.24
Rot. Bonds11

About N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 91317388) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID91317388
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide
SMILESNC(=O)c1ccccc1OCCNC(=O)c1oc2ccccc2c1COCCCO
InChIInChI=1S/C22H24N2O6/c23-21(26)16-7-2-3-8-18(16)29-13-10-24-22(27)20-17(14-28-12-5-11-25)15-6-1-4-9-19(15)30-20/h1-4,6-9,25H,5,10-14H2,(H2,23,26)(H,24,27)
InChIKeyHUACKDAZNOYXMN-UHFFFAOYSA-N
XLogP2.24
TPSA124.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-carbamoyl-4-hydroxyphenoxy)ethyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 86600353
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxamide
CID 87641117
N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8962542
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-3-[(2-hydroxyethylamino)methyl]-1-benzofuran-2-carboxamide
CID 89213471
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
2-[2-[[3-(3-hydroxyphenyl)benzoyl]amino]ethoxy]benzamide
CID 171675779
N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 91471027
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
N-(3-hydroxybutyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 111433556
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide (CID 91317388) is N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide is NC(=O)c1ccccc1OCCNC(=O)c1oc2ccccc2c1COCCCO.
What is the InChIKey of N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HUACKDAZNOYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c23-21(26)16-7-2-3-8-18(16)29-13-10-24-22(27)20-17(14-28-12-5-11-25)15-6-1-4-9-19(15)30-20/h1-4,6-9,25H,5,10-14H2,(H2,23,26)(H,24,27).
What are the key properties of N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91317388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).