N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide

C11H15N3O4 — CID 79769955

IUPACN-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCNC(C)=O)c1
InChIInChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-10-7-9(18-2)3-4-11(10)14(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyISJBNGNVDYVCJK-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.15
Rot. Bonds6

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

N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide (PubChem CID 79769955) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide
PubChem CID79769955
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCNC(C)=O)c1
InChIInChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-10-7-9(18-2)3-4-11(10)14(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,12,15)
InChIKeyISJBNGNVDYVCJK-UHFFFAOYSA-N
XLogP1.15
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
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

5-(5-methoxy-2-nitroanilino)pentan-1-ol
CID 107302413
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
1-[2-(5-methoxy-2-nitroanilino)ethylamino]propan-2-ol
CID 104594309
5-(5-methoxy-2-nitroanilino)-2-methylpentanoic acid
CID 104683135
5-methoxy-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 79035630
5-methoxy-N-(5-methylhexyl)-2-nitroaniline
CID 115326188
5-methoxy-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 79040625
5-methoxy-N-(5-methylsulfanylpentyl)-2-nitroaniline
CID 104925560
N-(2-chloroprop-2-enyl)-5-methoxy-2-nitroaniline
CID 115657655
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278952

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide (CID 79769955) is N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide is COc1ccc([N+](=O)[O-])c(NCCNC(C)=O)c1.
What is the InChIKey of N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide?
The InChIKey is ISJBNGNVDYVCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(15)12-5-6-13-10-7-9(18-2)3-4-11(10)14(16)17/h3-4,7,13H,5-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide?
N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide has a molecular weight of 253.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 79769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).