(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide

C8H14N4O4 — CID 16759091

IUPAC(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide
SMILESO=C(/C=N/O)NCCCCNC(=O)/C=N/O
InChIInChI=1S/C8H14N4O4/c13-7(5-11-15)9-3-1-2-4-10-8(14)6-12-16/h5-6,15-16H,1-4H2,(H,9,13)(H,10,14)/b11-5+,12-6+
InChIKeyCYDWOSRBPHFUSQ-YDWXAUTNSA-N
MW230.22 g/mol
LogP-1.08
Rot. Bonds7

About (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide

(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide (PubChem CID 16759091) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide
PubChem CID16759091
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide
SMILESO=C(/C=N/O)NCCCCNC(=O)/C=N/O
InChIInChI=1S/C8H14N4O4/c13-7(5-11-15)9-3-1-2-4-10-8(14)6-12-16/h5-6,15-16H,1-4H2,(H,9,13)(H,10,14)/b11-5+,12-6+
InChIKeyCYDWOSRBPHFUSQ-YDWXAUTNSA-N
XLogP-1.08
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide (CID 16759091) is (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide is O=C(/C=N/O)NCCCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide?
The InChIKey is CYDWOSRBPHFUSQ-YDWXAUTNSA-N. The full InChI is InChI=1S/C8H14N4O4/c13-7(5-11-15)9-3-1-2-4-10-8(14)6-12-16/h5-6,15-16H,1-4H2,(H,9,13)(H,10,14)/b11-5+,12-6+.
What are the key properties of (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide?
(2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide has a molecular weight of 230.22 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[4-[[(2E)-2-hydroxyiminoacetyl]amino]butyl]acetamide is sourced from PubChem (CID 16759091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).