(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

C18H21N3O3 — CID 56661733

IUPAC(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-13-4-3-5-15(12-13)24-18-16(7-6-14(2)19-18)17(20-22)21-8-10-23-11-9-21/h3-7,12,22H,8-11H2,1-2H3/b20-17-
InChIKeyFKJKORXHXLDSBY-JZJYNLBNSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds3

About (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine

(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (PubChem CID 56661733) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
PubChem CID56661733
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine
SMILESCc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3/c1-13-4-3-5-15(12-13)24-18-16(7-6-14(2)19-18)17(20-22)21-8-10-23-11-9-21/h3-7,12,22H,8-11H2,1-2H3/b20-17-
InChIKeyFKJKORXHXLDSBY-JZJYNLBNSA-N
XLogP2.96
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine (CID 56661733) is (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is Cc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c1.
What is the InChIKey of (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
The InChIKey is FKJKORXHXLDSBY-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-4-3-5-15(12-13)24-18-16(7-6-14(2)19-18)17(20-22)21-8-10-23-11-9-21/h3-7,12,22H,8-11H2,1-2H3/b20-17-.
What are the key properties of (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine?
(NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine has a molecular weight of 327.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-methyl-2-(3-methylphenoxy)-3-pyridinyl]-morpholin-4-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56661733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).