N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine

C18H21NO3 — CID 20985165

IUPACN-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)ccc1OCCCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-18-13-16(14-19-20)10-11-17(18)22-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20H,2,6,9,12H2,1H3
InChIKeyWLBYCBAYGRAYEQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.90
Rot. Bonds8

About N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine

N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine (PubChem CID 20985165) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
PubChem CID20985165
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)ccc1OCCCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-2-21-18-13-16(14-19-20)10-11-17(18)22-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20H,2,6,9,12H2,1H3
InChIKeyWLBYCBAYGRAYEQ-UHFFFAOYSA-N
XLogP3.90
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.90
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-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
(E)-3-[3-ethoxy-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid
CID 22680088
N-[[3-ethoxy-4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984739
N-[[3-bromo-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20985545
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
(NE)-N-[[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 99642838
N-[[3-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 20988948
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine (CID 20985165) is N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine is CCOc1cc(C=NO)ccc1OCCCc1ccccc1.
What is the InChIKey of N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is WLBYCBAYGRAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-21-18-13-16(14-19-20)10-11-17(18)22-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,20H,2,6,9,12H2,1H3.
What are the key properties of N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine?
N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 299.37 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20985165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).