(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine

C16H16N2O4 — CID 43822637

IUPAC(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-2-15(17-19)12-7-9-14(10-8-12)22-11-13-5-3-4-6-16(13)18(20)21/h3-10,19H,2,11H2,1H3/b17-15+
InChIKeyXIAKVDJPTPMMAB-BMRADRMJSA-N
MW300.31 g/mol
LogP3.76
Rot. Bonds6

About (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine

(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine (PubChem CID 43822637) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
PubChem CID43822637
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-2-15(17-19)12-7-9-14(10-8-12)22-11-13-5-3-4-6-16(13)18(20)21/h3-10,19H,2,11H2,1H3/b17-15+
InChIKeyXIAKVDJPTPMMAB-BMRADRMJSA-N
XLogP3.76
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

methyl 4-[(2-nitrophenyl)methoxy]benzoate
CID 26218557
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
N-methyl-4-[(2-nitrophenyl)methoxy]aniline
CID 61027197
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
acetic acid;(NE)-N-[2-(2-nitrophenyl)-1-phenylethylidene]hydroxylamine
CID 19784525
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
CID 107349549
nitric acid;2-[(E)-1-(4-phenylmethoxyphenyl)propylideneamino]guanidine
CID 45049782
(1S)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367375

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine (CID 43822637) is (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccc(OCc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is XIAKVDJPTPMMAB-BMRADRMJSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-15(17-19)12-7-9-14(10-8-12)22-11-13-5-3-4-6-16(13)18(20)21/h3-10,19H,2,11H2,1H3/b17-15+.
What are the key properties of (NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 300.31 g/mol, XLogP of 3.76, 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-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 43822637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).