(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine

C18H21NO4 — CID 110447871

IUPAC(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1-c1cc(/C(C)=N/O)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-11-6-7-16(21-3)14(8-11)15-9-13(12(2)19-20)10-17(22-4)18(15)23-5/h6-10,20H,1-5H3/b19-12+
InChIKeyUTZWCJTXWRNOBM-XDHOZWIPSA-N
MW315.37 g/mol
LogP3.89
Rot. Bonds5

About (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine (PubChem CID 110447871) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
PubChem CID110447871
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(C)cc1-c1cc(/C(C)=N/O)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-11-6-7-16(21-3)14(8-11)15-9-13(12(2)19-20)10-17(22-4)18(15)23-5/h6-10,20H,1-5H3/b19-12+
InChIKeyUTZWCJTXWRNOBM-XDHOZWIPSA-N
XLogP3.89
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-[1-(2-methoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 74880473
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
N-[1-(4-methoxy-3,5-dimethylphenyl)ethylidene]hydroxylamine
CID 56607063
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]ethanol
CID 24704343
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
CID 125472471
(NE)-N-[1-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-fluorophenyl]ethylidene]hydroxylamine
CID 110447935
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine (CID 110447871) is (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine is COc1ccc(C)cc1-c1cc(/C(C)=N/O)cc(OC)c1OC.
What is the InChIKey of (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is UTZWCJTXWRNOBM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-6-7-16(21-3)14(8-11)15-9-13(12(2)19-20)10-17(22-4)18(15)23-5/h6-10,20H,1-5H3/b19-12+.
What are the key properties of (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 315.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3,4-dimethoxy-5-(2-methoxy-5-methylphenyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 110447871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).