N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide

C15H17N3O5 — CID 148891313

IUPACN-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
SMILESNCCNC(=O)COc1ccc2cc([N+](=O)[O-])c(CO)cc2c1
InChIInChI=1S/C15H17N3O5/c16-3-4-17-15(20)9-23-13-2-1-10-7-14(18(21)22)12(8-19)5-11(10)6-13/h1-2,5-7,19H,3-4,8-9,16H2,(H,17,20)
InChIKeyPEZHQKLUUCPHTO-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.69
Rot. Bonds7

About N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide

N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide (PubChem CID 148891313) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
PubChem CID148891313
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC NameN-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
SMILESNCCNC(=O)COc1ccc2cc([N+](=O)[O-])c(CO)cc2c1
InChIInChI=1S/C15H17N3O5/c16-3-4-17-15(20)9-23-13-2-1-10-7-14(18(21)22)12(8-19)5-11(10)6-13/h1-2,5-7,19H,3-4,8-9,16H2,(H,17,20)
InChIKeyPEZHQKLUUCPHTO-UHFFFAOYSA-N
XLogP0.69
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[8-(hydroxymethyl)-7-nitrodibenzofuran-3-yl]oxyacetamide
CID 154627401
N-(2-aminoethyl)-2-(3-fluoro-4-nitrophenoxy)acetamide;hydrochloride
CID 119384116
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
N-(2-aminoethyl)-2-(3-propan-2-ylisoquinolin-6-yl)oxyacetamide
CID 139360758
(3-nitronaphthalen-2-yl)methanol
CID 4076989
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide (CID 148891313) is N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide is NCCNC(=O)COc1ccc2cc([N+](=O)[O-])c(CO)cc2c1.
What is the InChIKey of N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide?
The InChIKey is PEZHQKLUUCPHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c16-3-4-17-15(20)9-23-13-2-1-10-7-14(18(21)22)12(8-19)5-11(10)6-13/h1-2,5-7,19H,3-4,8-9,16H2,(H,17,20).
What are the key properties of N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide?
N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide has a molecular weight of 319.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 148891313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).