(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

C16H18N2O3 — CID 115495621

IUPAC(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESCOc1ncccc1COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C16H18N2O3/c1-12(18-19)10-13-5-7-15(8-6-13)21-11-14-4-3-9-17-16(14)20-2/h3-9,19H,10-11H2,1-2H3/b18-12+
InChIKeyIFBZVVRGHDOTEN-LDADJPATSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds6

About (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine

(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (PubChem CID 115495621) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
PubChem CID115495621
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
SMILESCOc1ncccc1COc1ccc(C/C(C)=N/O)cc1
InChIInChI=1S/C16H18N2O3/c1-12(18-19)10-13-5-7-15(8-6-13)21-11-14-4-3-9-17-16(14)20-2/h3-9,19H,10-11H2,1-2H3/b18-12+
InChIKeyIFBZVVRGHDOTEN-LDADJPATSA-N
XLogP3.06
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
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

(NE)-N-[1-[4-[(2-methoxyphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495642
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
(NZ)-N-[1-[4-[(2,6-difluorophenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 114930385
3-methoxy-5-[(2-methoxy-3-pyridinyl)methoxy]benzonitrile
CID 103566901
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
(NZ)-N-[1-[4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495504
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
4-(2-hydroxyiminopropyl)phenol
CID 572036
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine (CID 115495621) is (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is COc1ncccc1COc1ccc(C/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
The InChIKey is IFBZVVRGHDOTEN-LDADJPATSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(18-19)10-13-5-7-15(8-6-13)21-11-14-4-3-9-17-16(14)20-2/h3-9,19H,10-11H2,1-2H3/b18-12+.
What are the key properties of (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine?
(NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine has a molecular weight of 286.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[(2-methoxy-3-pyridinyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 115495621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).