(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine

C24H28N4O2 — CID 177495412

IUPAC(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\C1CCCC(/N=C(C(\C)=N\O)/c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17(27-29)23(19-10-5-3-6-11-19)25-21-14-9-15-22(16-21)26-24(18(2)28-30)20-12-7-4-8-13-20/h3-8,10-13,21-22,29-30H,9,14-16H2,1-2H3/b25-23+,26-24+,27-17+,28-18+
InChIKeyUUMUSQLKPBAWLL-UBWGOZJYSA-N
MW404.51 g/mol
LogP4.98
Rot. Bonds6

About (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine

(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine (PubChem CID 177495412) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine
PubChem CID177495412
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\C1CCCC(/N=C(C(\C)=N\O)/c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17(27-29)23(19-10-5-3-6-11-19)25-21-14-9-15-22(16-21)26-24(18(2)28-30)20-12-7-4-8-13-20/h3-8,10-13,21-22,29-30H,9,14-16H2,1-2H3/b25-23+,26-24+,27-17+,28-18+
InChIKeyUUMUSQLKPBAWLL-UBWGOZJYSA-N
XLogP4.98
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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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Related Compounds

(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
(1-hydrazinylidene-1-phenylpropan-2-ylidene)hydrazine
CID 71413419
N-cyclopropylbenzenecarboximidoyl chloride
CID 7130957
N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide
CID 135505884
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenol
CID 135494041
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
acetic acid;N-hydroxybenzenecarboximidoyl chloride
CID 158315171
N'-cyclopropylbenzenecarboximidamide
CID 12916005
(N,N'-dicyclohexylcarbamimidoyl) (2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 6244861
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine (CID 177495412) is (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine is CC(=N\O)/C(=N\C1CCCC(/N=C(C(\C)=N\O)/c2ccccc2)C1)c1ccccc1.
What is the InChIKey of (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine?
The InChIKey is UUMUSQLKPBAWLL-UBWGOZJYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(27-29)23(19-10-5-3-6-11-19)25-21-14-9-15-22(16-21)26-24(18(2)28-30)20-12-7-4-8-13-20/h3-8,10-13,21-22,29-30H,9,14-16H2,1-2H3/b25-23+,26-24+,27-17+,28-18+.
What are the key properties of (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine?
(NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine has a molecular weight of 404.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3-[[(2E)-2-hydroxyimino-1-phenylpropylidene]amino]cyclohexyl]imino-1-phenylpropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 177495412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).