(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide

C11H22N6O4 — CID 73254220

IUPAC(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
SMILESO=C(/C=N/O)NCCNCCCNCCNC(=O)/C=N/O
InChIInChI=1S/C11H22N6O4/c18-10(8-16-20)14-6-4-12-2-1-3-13-5-7-15-11(19)9-17-21/h8-9,12-13,20-21H,1-7H2,(H,14,18)(H,15,19)/b16-8+,17-9+
InChIKeyJYNMSPLTJVXXPQ-GONBZBRSSA-N
MW302.33 g/mol
LogP-2.29
Rot. Bonds12

About (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide

(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide (PubChem CID 73254220) has the molecular formula C11H22N6O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
PubChem CID73254220
Molecular FormulaC11H22N6O4
Molecular Weight302.33 g/mol
Exact Mass302.17
IUPAC Name(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
SMILESO=C(/C=N/O)NCCNCCCNCCNC(=O)/C=N/O
InChIInChI=1S/C11H22N6O4/c18-10(8-16-20)14-6-4-12-2-1-3-13-5-7-15-11(19)9-17-21/h8-9,12-13,20-21H,1-7H2,(H,14,18)(H,15,19)/b16-8+,17-9+
InChIKeyJYNMSPLTJVXXPQ-GONBZBRSSA-N
XLogP-2.29
TPSA147.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 5-2.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide
CID 75538776
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
CID 6408182
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide (CID 73254220) is (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide is O=C(/C=N/O)NCCNCCCNCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide?
The InChIKey is JYNMSPLTJVXXPQ-GONBZBRSSA-N. The full InChI is InChI=1S/C11H22N6O4/c18-10(8-16-20)14-6-4-12-2-1-3-13-5-7-15-11(19)9-17-21/h8-9,12-13,20-21H,1-7H2,(H,14,18)(H,15,19)/b16-8+,17-9+.
What are the key properties of (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide?
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide has a molecular weight of 302.33 g/mol, XLogP of -2.29, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide is sourced from PubChem (CID 73254220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).