N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide

C14H19N3O6 — CID 5311932

IUPACN-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc([N+](=O)[O-])cc1OCCNC(C)=O
InChIInChI=1S/C14H19N3O6/c1-10(18)15-5-7-22-13-4-3-12(17(20)21)9-14(13)23-8-6-16-11(2)19/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQMXRJRQLNTWPBA-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.62
Rot. Bonds9

About N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide

N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide (PubChem CID 5311932) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
PubChem CID5311932
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC NameN-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
SMILESCC(=O)NCCOc1ccc([N+](=O)[O-])cc1OCCNC(C)=O
InChIInChI=1S/C14H19N3O6/c1-10(18)15-5-7-22-13-4-3-12(17(20)21)9-14(13)23-8-6-16-11(2)19/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyQMXRJRQLNTWPBA-UHFFFAOYSA-N
XLogP0.62
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
tert-butyl N-[3-(2-methoxy-5-nitrophenoxy)propyl]carbamate
CID 142777700
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide
CID 71835191
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
methyl 3-(2-methyl-5-nitrophenoxy)propanoate
CID 43520114
N-[2-[2-(difluoromethoxy)-4-nitroanilino]ethyl]acetamide
CID 133467157
2-(2,4-dinitrophenoxy)-N-(2-methoxyethyl)acetamide
CID 17359083
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
CID 176908438
N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
CID 166477963

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide (CID 5311932) is N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide is CC(=O)NCCOc1ccc([N+](=O)[O-])cc1OCCNC(C)=O.
What is the InChIKey of N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide?
The InChIKey is QMXRJRQLNTWPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-10(18)15-5-7-22-13-4-3-12(17(20)21)9-14(13)23-8-6-16-11(2)19/h3-4,9H,5-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide?
N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide is sourced from PubChem (CID 5311932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).