N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide

C13H18N2O5 — CID 71835191

IUPACN-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide
SMILESCCc1cc(OCCNC(C)=O)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-4-10-7-13(20-6-5-14-9(2)16)12(19-3)8-11(10)15(17)18/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeySUYYPGMXPXOSKF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.68
Rot. Bonds7

About N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide

N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide (PubChem CID 71835191) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide
PubChem CID71835191
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide
SMILESCCc1cc(OCCNC(C)=O)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O5/c1-4-10-7-13(20-6-5-14-9(2)16)12(19-3)8-11(10)15(17)18/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeySUYYPGMXPXOSKF-UHFFFAOYSA-N
XLogP1.68
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(4-methoxy-2-nitro-5-propoxyphenyl)methyl]ethanamine
CID 112720449
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733
N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
CID 5311932
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
5-methoxy-4-(2-methoxyethoxy)-N-(3-methoxypropyl)-2-nitrobenzamide
CID 24563160
[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
(5-methoxy-2-nitro-4-pentoxyphenyl)methanamine
CID 43311550
4-[4-(aminomethyl)-2-methoxy-5-nitrophenoxy]butanoic acid
CID 91418392

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide (CID 71835191) is N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide is CCc1cc(OCCNC(C)=O)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide?
The InChIKey is SUYYPGMXPXOSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-10-7-13(20-6-5-14-9(2)16)12(19-3)8-11(10)15(17)18/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide?
N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methoxy-4-nitrophenoxy)ethyl]acetamide is sourced from PubChem (CID 71835191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).