N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine

C24H25NO3 — CID 20984551

IUPACN-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
SMILESCC(C)(c1ccccc1)c1ccc(OCCOc2cccc(C=NO)c2)cc1
InChIInChI=1S/C24H25NO3/c1-24(2,20-8-4-3-5-9-20)21-11-13-22(14-12-21)27-15-16-28-23-10-6-7-19(17-23)18-25-26/h3-14,17-18,26H,15-16H2,1-2H3
InChIKeyLTGDBVPPDGTCIU-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.28
Rot. Bonds8

About N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine

N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20984551) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20984551
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine
SMILESCC(C)(c1ccccc1)c1ccc(OCCOc2cccc(C=NO)c2)cc1
InChIInChI=1S/C24H25NO3/c1-24(2,20-8-4-3-5-9-20)21-11-13-22(14-12-21)27-15-16-28-23-10-6-7-19(17-23)18-25-26/h3-14,17-18,26H,15-16H2,1-2H3
InChIKeyLTGDBVPPDGTCIU-UHFFFAOYSA-N
XLogP5.28
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[3-[2-(4-methylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42203886
(NE)-N-[[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42232312
(NE)-N-[[3-(2-naphthalen-2-yloxyethoxy)phenyl]methylidene]hydroxylamine
CID 42180901
N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22682067
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
N-[[3-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22683329
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
(NZ)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 29021936
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
N-[(Z)-[3-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]benzamide
CID 6082472
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine (CID 20984551) is N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine is CC(C)(c1ccccc1)c1ccc(OCCOc2cccc(C=NO)c2)cc1.
What is the InChIKey of N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is LTGDBVPPDGTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-24(2,20-8-4-3-5-9-20)21-11-13-22(14-12-21)27-15-16-28-23-10-6-7-19(17-23)18-25-26/h3-14,17-18,26H,15-16H2,1-2H3.
What are the key properties of N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 375.47 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20984551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).