N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C20H25NO4 — CID 20985930

IUPACN-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)ccc1OCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)16-6-8-17(9-7-16)24-11-12-25-18-10-5-15(14-21-22)13-19(18)23-4/h5-10,13-14,22H,11-12H2,1-4H3
InChIKeyFLCLPTMCLRBOSV-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.26
Rot. Bonds7

About N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 20985930) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID20985930
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)ccc1OCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)16-6-8-17(9-7-16)24-11-12-25-18-10-5-15(14-21-22)13-19(18)23-4/h5-10,13-14,22H,11-12H2,1-4H3
InChIKeyFLCLPTMCLRBOSV-UHFFFAOYSA-N
XLogP4.26
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.26
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-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
N-[[5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
N-[[3-methoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680571
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22681745
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508917
(NZ)-N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methylidene]hydroxylamine
CID 95732521
3-[2-(4-tert-butylphenoxy)ethoxy]-4-methoxybenzoic acid
CID 22683537
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
CID 6219023

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 20985930) is N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cc(C=NO)ccc1OCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is FLCLPTMCLRBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)16-6-8-17(9-7-16)24-11-12-25-18-10-5-15(14-21-22)13-19(18)23-4/h5-10,13-14,22H,11-12H2,1-4H3.
What are the key properties of N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 343.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20985930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).