(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine

C27H36N4O2 — CID 136679274

IUPAC(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine
SMILESCCCCC(=N/O)/C(=N\CCC/N=C(C(\CCCC)=N/O)/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36N4O2/c1-3-5-18-24(30-32)26(22-14-9-7-10-15-22)28-20-13-21-29-27(23-16-11-8-12-17-23)25(31-33)19-6-4-2/h7-12,14-17,32-33H,3-6,13,18-21H2,1-2H3/b28-26-,29-27-,30-24-,31-25-
InChIKeyOHWCIMOVLYMGMK-GDTRBYGKSA-N
MW448.61 g/mol
LogP6.40
Rot. Bonds14

About (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine

(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine (PubChem CID 136679274) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine
PubChem CID136679274
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine
SMILESCCCCC(=N/O)/C(=N\CCC/N=C(C(\CCCC)=N/O)/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36N4O2/c1-3-5-18-24(30-32)26(22-14-9-7-10-15-22)28-20-13-21-29-27(23-16-11-8-12-17-23)25(31-33)19-6-4-2/h7-12,14-17,32-33H,3-6,13,18-21H2,1-2H3/b28-26-,29-27-,30-24-,31-25-
InChIKeyOHWCIMOVLYMGMK-GDTRBYGKSA-N
XLogP6.40
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-hydroxyimino-1-phenylhexan-1-one
CID 71332647
(NZ)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)hexan-2-ylidene]hydroxylamine
CID 136848910
N-[(Z)-[(2E)-2-hydroxyimino-1-phenyldecylidene]amino]-4-methylbenzenesulfonamide
CID 135699585
N-hexadecyl-1-phenylethanimine
CID 102417154
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
[(E)-hept-2-en-3-yl]benzene
CID 14568345
ethyl N-butylbenzenecarboximidate
CID 19093178
N-benzyl-1-phenylpentan-1-imine
CID 20688068
2-hydroxyiminohexanoic acid
CID 6399040

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine (CID 136679274) is (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine is CCCCC(=N/O)/C(=N\CCC/N=C(C(\CCCC)=N/O)/c1ccccc1)c1ccccc1.
What is the InChIKey of (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine?
The InChIKey is OHWCIMOVLYMGMK-GDTRBYGKSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-3-5-18-24(30-32)26(22-14-9-7-10-15-22)28-20-13-21-29-27(23-16-11-8-12-17-23)25(31-33)19-6-4-2/h7-12,14-17,32-33H,3-6,13,18-21H2,1-2H3/b28-26-,29-27-,30-24-,31-25-.
What are the key properties of (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine?
(NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine has a molecular weight of 448.61 g/mol, XLogP of 6.40, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[3-[[(2Z)-2-hydroxyimino-1-phenylhexylidene]amino]propylimino]-1-phenylhexan-2-ylidene]hydroxylamine is sourced from PubChem (CID 136679274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).