(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine

C18H20N2O2 — CID 137059978

IUPAC(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESCc1ccc(C(=N\O)/C(=N/O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H20N2O2/c1-11-5-7-15(9-13(11)3)17(19-21)18(20-22)16-8-6-12(2)14(4)10-16/h5-10,21-22H,1-4H3/b19-17+,20-18+
InChIKeyAQMKTQAJNBWYCF-XPWSMXQVSA-N
MW296.37 g/mol
LogP3.98
Rot. Bonds3

About (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine

(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine (PubChem CID 137059978) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine
PubChem CID137059978
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine
SMILESCc1ccc(C(=N\O)/C(=N/O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C18H20N2O2/c1-11-5-7-15(9-13(11)3)17(19-21)18(20-22)16-8-6-12(2)14(4)10-16/h5-10,21-22H,1-4H3/b19-17+,20-18+
InChIKeyAQMKTQAJNBWYCF-XPWSMXQVSA-N
XLogP3.98
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-1-(3,4-dimethylphenyl)-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]ethanimine
CID 177451441
(E)-1-(3,4-dimethylphenyl)-N-methoxyethanimine
CID 21345733
3,4-dimethylbenzoyl chloride;methane
CID 155746404
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3,4-dimethylbenzamide
CID 43185491
CID 91125880
CID 91125880
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
chloro 3,4-dimethylbenzoate
CID 174727966
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
2-(3,4-dimethylphenyl)prop-2-enamide
CID 69495371
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine (CID 137059978) is (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine is Cc1ccc(C(=N\O)/C(=N/O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine?
The InChIKey is AQMKTQAJNBWYCF-XPWSMXQVSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-5-7-15(9-13(11)3)17(19-21)18(20-22)16-8-6-12(2)14(4)10-16/h5-10,21-22H,1-4H3/b19-17+,20-18+.
What are the key properties of (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine?
(NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine has a molecular weight of 296.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-1,2-bis(3,4-dimethylphenyl)-2-hydroxyiminoethylidene]hydroxylamine is sourced from PubChem (CID 137059978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).