(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine

C16H17NO2 — CID 21296282

IUPAC(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(Oc2ccccc2)cc1)=N/O
InChIInChI=1S/C16H17NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h2-6,9-12,18H,7-8H2,1H3/b17-13-
InChIKeyRFHRBHPXECCBEI-LGMDPLHJSA-N
MW255.32 g/mol
LogP4.26
Rot. Bonds5

About (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine

(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 21296282) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
PubChem CID21296282
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(Oc2ccccc2)cc1)=N/O
InChIInChI=1S/C16H17NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h2-6,9-12,18H,7-8H2,1H3/b17-13-
InChIKeyRFHRBHPXECCBEI-LGMDPLHJSA-N
XLogP4.26
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]propan-1-ol
CID 114266726
4-[4-(3-hydroxyiminobutyl)phenoxy]butan-1-ol
CID 76917502
(NE)-N-[4-[4-(3-methoxypropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 54936027
N-[1-(3-phenoxyphenyl)propan-2-ylidene]hydroxylamine
CID 142649594
N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
(NE)-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 24707329
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982
2-[4-(3-hydroxyiminobutyl)phenoxy]propanenitrile
CID 76915200
(NE)-N-[4-[4-(4-methylpentoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 83159110
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
CID 43093796
(4-phenoxyphenyl) N-hydroxyethanimidate
CID 173403017
N-(4-pyridin-4-ylbutan-2-ylidene)hydroxylamine
CID 76539650

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine (CID 21296282) is (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine is C/C(CCc1ccc(Oc2ccccc2)cc1)=N/O.
What is the InChIKey of (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is RFHRBHPXECCBEI-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h2-6,9-12,18H,7-8H2,1H3/b17-13-.
What are the key properties of (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 255.32 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 21296282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).