(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine

C23H22N2O5 — CID 6529063

IUPAC(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine
SMILESCO/N=C(/c1ccc(C)cc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-17-3-5-18(6-4-17)23(24-28-2)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)25(26)27/h3-14H,15-16H2,1-2H3/b24-23-
InChIKeySMCVVHVIHCCMQJ-VHXPQNKSSA-N
MW406.44 g/mol
LogP4.76
Rot. Bonds9

About (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine

(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine (PubChem CID 6529063) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine
PubChem CID6529063
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine
SMILESCO/N=C(/c1ccc(C)cc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C23H22N2O5/c1-17-3-5-18(6-4-17)23(24-28-2)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)25(26)27/h3-14H,15-16H2,1-2H3/b24-23-
InChIKeySMCVVHVIHCCMQJ-VHXPQNKSSA-N
XLogP4.76
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-[4-(2-methylidenebutoxy)phenyl]-1-(4-nitrophenyl)methanimine
CID 76696784
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
CID 71951323
2-(4-nitrophenoxy)ethyl 2-(4-methylphenoxy)acetate
CID 2414866
1-methyl-4-[2-(4-nitrophenyl)sulfanylethoxy]benzene
CID 134017030
1-methyl-4-[3-(4-nitrophenyl)propoxy]benzene
CID 154265214
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
2-(4-methylphenoxy)ethyl (2R)-2-(4-nitrophenyl)sulfonylpropanoate
CID 8984406
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine?
The IUPAC name of (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine (CID 6529063) is (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine.
What is the SMILES notation for (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine?
The canonical SMILES for (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine is CO/N=C(/c1ccc(C)cc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine?
The InChIKey is SMCVVHVIHCCMQJ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-17-3-5-18(6-4-17)23(24-28-2)19-7-11-21(12-8-19)29-15-16-30-22-13-9-20(10-14-22)25(26)27/h3-14H,15-16H2,1-2H3/b24-23-.
What are the key properties of (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine?
(Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine has a molecular weight of 406.44 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-(4-methylphenyl)-1-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]methanimine is sourced from PubChem (CID 6529063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).