(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine

C19H24N2O2 — CID 143158614

IUPAC(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine
SMILESO/N=C/CCCCCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c22-20-15-7-2-1-3-8-16-23-19-13-11-18(12-14-19)21-17-9-5-4-6-10-17/h4-6,9-15,21-22H,1-3,7-8,16H2/b20-15+
InChIKeyTWVMYVSPGGPSII-HMMYKYKNSA-N
MW312.41 g/mol
LogP5.22
Rot. Bonds10

About (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine

(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine (PubChem CID 143158614) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine
PubChem CID143158614
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine
SMILESO/N=C/CCCCCCOc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c22-20-15-7-2-1-3-8-16-23-19-13-11-18(12-14-19)21-17-9-5-4-6-10-17/h4-6,9-15,21-22H,1-3,7-8,16H2/b20-15+
InChIKeyTWVMYVSPGGPSII-HMMYKYKNSA-N
XLogP5.22
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
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

5-(4-anilinophenoxy)pentanoic acid
CID 43519556
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4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
2-(4-anilinophenoxy)ethyl thiocyanate
CID 10989334
4-(4-tetradecoxyanilino)phenol
CID 174780996
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205
N-(12-hydroxyiminododecylidene)hydroxylamine
CID 131876535
4-(6-bromohexoxy)-N-(4-bromophenyl)aniline
CID 174759190

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine?
The IUPAC name of (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine (CID 143158614) is (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine is O/N=C/CCCCCCOc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine?
The InChIKey is TWVMYVSPGGPSII-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-20-15-7-2-1-3-8-16-23-19-13-11-18(12-14-19)21-17-9-5-4-6-10-17/h4-6,9-15,21-22H,1-3,7-8,16H2/b20-15+.
What are the key properties of (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine?
(NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine has a molecular weight of 312.41 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[7-(4-anilinophenoxy)heptylidene]hydroxylamine is sourced from PubChem (CID 143158614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).