N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C19H22ClNO4 — CID 22681380

IUPACN-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc(Cl)c1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO4/c1-13(2)15-4-6-16(7-5-15)24-8-9-25-19-17(20)10-14(12-21-22)11-18(19)23-3/h4-7,10-13,22H,8-9H2,1-3H3
InChIKeyYZCNREOGNCGKIA-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.74
Rot. Bonds8

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

N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22681380) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22681380
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc(Cl)c1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO4/c1-13(2)15-4-6-16(7-5-15)24-8-9-25-19-17(20)10-14(12-21-22)11-18(19)23-3/h4-7,10-13,22H,8-9H2,1-3H3
InChIKeyYZCNREOGNCGKIA-UHFFFAOYSA-N
XLogP4.74
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.74
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

(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
N-[[3-chloro-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 22686186
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123
N-[[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22684998
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
[[3-chloro-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 3501853
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22682909
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
N-[[3-bromo-5-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681448
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22681745

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22681380) is N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is COc1cc(C=NO)cc(Cl)c1OCCOc1ccc(C(C)C)cc1.
What is the InChIKey of N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is YZCNREOGNCGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-13(2)15-4-6-16(7-5-15)24-8-9-25-19-17(20)10-14(12-21-22)11-18(19)23-3/h4-7,10-13,22H,8-9H2,1-3H3.
What are the key properties of N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 363.84 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).