N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C19H22ClNO4 — CID 22686275

IUPACN-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)cc(Cl)c1OCCOc1ccc(CC)cc1
InChIInChI=1S/C19H22ClNO4/c1-3-14-5-7-16(8-6-14)24-9-10-25-19-17(20)11-15(13-21-22)12-18(19)23-4-2/h5-8,11-13,22H,3-4,9-10H2,1-2H3
InChIKeyQWUDNXCPPKFPGC-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.57
Rot. Bonds9

About N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22686275) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22686275
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)cc(Cl)c1OCCOc1ccc(CC)cc1
InChIInChI=1S/C19H22ClNO4/c1-3-14-5-7-16(8-6-14)24-9-10-25-19-17(20)11-15(13-21-22)12-18(19)23-4-2/h5-8,11-13,22H,3-4,9-10H2,1-2H3
InChIKeyQWUDNXCPPKFPGC-UHFFFAOYSA-N
XLogP4.57
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22684998
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22682909
(NE)-N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
CID 22682955

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22686275) is N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is CCOc1cc(C=NO)cc(Cl)c1OCCOc1ccc(CC)cc1.
What is the InChIKey of N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is QWUDNXCPPKFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-3-14-5-7-16(8-6-14)24-9-10-25-19-17(20)11-15(13-21-22)12-18(19)23-4-2/h5-8,11-13,22H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 363.84 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22686275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).