N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide

C17H17N3O6 — CID 154627401

IUPACN-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide
SMILESNCCNC(=O)COc1ccc2c(c1)oc1cc([N+](=O)[O-])c(CO)cc12
InChIInChI=1S/C17H17N3O6/c18-3-4-19-17(22)9-25-11-1-2-12-13-5-10(8-21)14(20(23)24)7-16(13)26-15(12)6-11/h1-2,5-7,21H,3-4,8-9,18H2,(H,19,22)
InChIKeyYTJSFEJAHOEGEW-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.44
Rot. Bonds7

About N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide

N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide (PubChem CID 154627401) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide
PubChem CID154627401
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide
SMILESNCCNC(=O)COc1ccc2c(c1)oc1cc([N+](=O)[O-])c(CO)cc12
InChIInChI=1S/C17H17N3O6/c18-3-4-19-17(22)9-25-11-1-2-12-13-5-10(8-21)14(20(23)24)7-16(13)26-15(12)6-11/h1-2,5-7,21H,3-4,8-9,18H2,(H,19,22)
InChIKeyYTJSFEJAHOEGEW-UHFFFAOYSA-N
XLogP1.44
TPSA140.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
CID 148891313
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(2-pyridin-2-ylethyl)acetamide
CID 156790060
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-(2-aminoethyl)-2-(4-benzylphenoxy)acetamide
CID 62275392
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4901618
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide (CID 154627401) is N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide is NCCNC(=O)COc1ccc2c(c1)oc1cc([N+](=O)[O-])c(CO)cc12.
What is the InChIKey of N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide?
The InChIKey is YTJSFEJAHOEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c18-3-4-19-17(22)9-25-11-1-2-12-13-5-10(8-21)14(20(23)24)7-16(13)26-15(12)6-11/h1-2,5-7,21H,3-4,8-9,18H2,(H,19,22).
What are the key properties of N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide?
N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide has a molecular weight of 359.34 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide is sourced from PubChem (CID 154627401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).