4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide

C9H16N4O4 — CID 173296839

IUPAC4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide
SMILESCCC(N)=C(/C(=N/CCOC)C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C9H16N4O4/c1-3-6(10)8(13(15)16)7(9(11)14)12-4-5-17-2/h3-5,10H2,1-2H3,(H2,11,14)/b8-6?,12-7-
InChIKeyAZEHENLAXPDUND-JUMLENBZSA-N
MW244.25 g/mol
LogP-0.58
Rot. Bonds7

About 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide

4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide (PubChem CID 173296839) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide
PubChem CID173296839
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide
SMILESCCC(N)=C(/C(=N/CCOC)C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C9H16N4O4/c1-3-6(10)8(13(15)16)7(9(11)14)12-4-5-17-2/h3-5,10H2,1-2H3,(H2,11,14)/b8-6?,12-7-
InChIKeyAZEHENLAXPDUND-JUMLENBZSA-N
XLogP-0.58
TPSA133.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2,5-diamino-3-nitro-5-oxo-4-(2-propoxyethylimino)pent-2-enoate
CID 173297225
(E)-4-nitrohex-3-en-3-amine
CID 102061300
(E)-3-(2-methoxyethylimino)-2-nitroprop-1-en-1-amine
CID 134420942
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
1,2-dimethoxyethane;pentan-3-one
CID 87877054
1,2-dimethoxyethane;2-methyl-2-nitropropane
CID 174683857
N'-(2-methoxyethyl)-3-methylbutanimidamide
CID 63181243
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
[N'-(2-methoxyethyl)carbamimidoyl]thiourea
CID 19439671
1-nitropropan-1-one
CID 57456300

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide?
The IUPAC name of 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide (CID 173296839) is 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide is CCC(N)=C(/C(=N/CCOC)C(N)=O)[N+](=O)[O-].
What is the InChIKey of 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide?
The InChIKey is AZEHENLAXPDUND-JUMLENBZSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-3-6(10)8(13(15)16)7(9(11)14)12-4-5-17-2/h3-5,10H2,1-2H3,(H2,11,14)/b8-6?,12-7-.
What are the key properties of 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide?
4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide has a molecular weight of 244.25 g/mol, XLogP of -0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylimino)-3-nitrohex-3-enamide is sourced from PubChem (CID 173296839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).