2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide

C11H16N4O4 — CID 106241889

IUPAC2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide
SMILESCNc1cc(NCCOCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4/c1-13-8-4-9(6-10(5-8)15(17)18)14-2-3-19-7-11(12)16/h4-6,13-14H,2-3,7H2,1H3,(H2,12,16)
InChIKeyZJBGIRKBCTUUIE-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.55
Rot. Bonds8

About 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide

2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide (PubChem CID 106241889) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide
PubChem CID106241889
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide
SMILESCNc1cc(NCCOCC(N)=O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4/c1-13-8-4-9(6-10(5-8)15(17)18)14-2-3-19-7-11(12)16/h4-6,13-14H,2-3,7H2,1H3,(H2,12,16)
InChIKeyZJBGIRKBCTUUIE-UHFFFAOYSA-N
XLogP0.55
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.55
H-Bond Donors ≤ 53
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-[3-(methylamino)-5-nitroanilino]ethoxy]ethanol
CID 80827179
3-N-(3-ethoxypropyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80772856
2-[2-(3-methoxy-5-nitroanilino)ethoxy]acetic acid
CID 80736437
ethyl 4-[3-(methylamino)-5-nitroanilino]butanoate
CID 80844400
3-N-(2-cyclopentyloxyethyl)-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80846115
3-N-hexyl-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80835827
methyl 2-[3-(methylamino)-5-nitroanilino]acetate
CID 80778005
2-[2-[(5-nitropyrimidin-2-yl)amino]ethoxy]acetamide
CID 114162578
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
3-N-[2-(dimethylamino)ethyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80770656
2-(3-fluoro-5-nitroanilino)ethyl carbamate
CID 83204045
1-N-methyl-3-N-(4-methylpentyl)-5-nitrobenzene-1,3-diamine
CID 80831311

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide?
The IUPAC name of 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide (CID 106241889) is 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide is CNc1cc(NCCOCC(N)=O)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide?
The InChIKey is ZJBGIRKBCTUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-13-8-4-9(6-10(5-8)15(17)18)14-2-3-19-7-11(12)16/h4-6,13-14H,2-3,7H2,1H3,(H2,12,16).
What are the key properties of 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide?
2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide has a molecular weight of 268.27 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylamino)-5-nitroanilino]ethoxy]acetamide is sourced from PubChem (CID 106241889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).