N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine

C18H34N4O4 — CID 154574246

IUPACN-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine
SMILESCC(=NO)C(CCCCCCCCCCCCC(=NO)C(C)=NO)=NO
InChIInChI=1S/C18H34N4O4/c1-15(19-23)17(21-25)13-11-9-7-5-3-4-6-8-10-12-14-18(22-26)16(2)20-24/h23-26H,3-14H2,1-2H3
InChIKeyCBCKLMWPICNCAZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.03
Rot. Bonds15

About N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine

N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine (PubChem CID 154574246) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine
PubChem CID154574246
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC NameN-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine
SMILESCC(=NO)C(CCCCCCCCCCCCC(=NO)C(C)=NO)=NO
InChIInChI=1S/C18H34N4O4/c1-15(19-23)17(21-25)13-11-9-7-5-3-4-6-8-10-12-14-18(22-26)16(2)20-24/h23-26H,3-14H2,1-2H3
InChIKeyCBCKLMWPICNCAZ-UHFFFAOYSA-N
XLogP5.03
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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 N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine?
The IUPAC name of N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine (CID 154574246) is N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine is CC(=NO)C(CCCCCCCCCCCCC(=NO)C(C)=NO)=NO.
What is the InChIKey of N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine?
The InChIKey is CBCKLMWPICNCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-15(19-23)17(21-25)13-11-9-7-5-3-4-6-8-10-12-14-18(22-26)16(2)20-24/h23-26H,3-14H2,1-2H3.
What are the key properties of N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine?
N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine has a molecular weight of 370.49 g/mol, XLogP of 5.03, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,16,17-tris(hydroxyimino)octadecan-3-ylidene]hydroxylamine is sourced from PubChem (CID 154574246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).