1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine

C23H21N3O4 — CID 56694143

IUPAC1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
SMILESCOc1ccc(/C=N/c2cc([N+](=O)[O-])cc(/N=C/c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C23H21N3O4/c1-16-22(24-14-17-4-8-20(29-2)9-5-17)12-19(26(27)28)13-23(16)25-15-18-6-10-21(30-3)11-7-18/h4-15H,1-3H3/b24-14+,25-15+
InChIKeyFKYYGHONYFZVQT-KOJZRSEWSA-N
MW403.44 g/mol
LogP5.42
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine

1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine (PubChem CID 56694143) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
PubChem CID56694143
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
SMILESCOc1ccc(/C=N/c2cc([N+](=O)[O-])cc(/N=C/c3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C23H21N3O4/c1-16-22(24-14-17-4-8-20(29-2)9-5-17)12-19(26(27)28)13-23(16)25-15-18-6-10-21(30-3)11-7-18/h4-15H,1-3H3/b24-14+,25-15+
InChIKeyFKYYGHONYFZVQT-KOJZRSEWSA-N
XLogP5.42
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 3904507
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine (CID 56694143) is 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine is COc1ccc(/C=N/c2cc([N+](=O)[O-])cc(/N=C/c3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine?
The InChIKey is FKYYGHONYFZVQT-KOJZRSEWSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-22(24-14-17-4-8-20(29-2)9-5-17)12-19(26(27)28)13-23(16)25-15-18-6-10-21(30-3)11-7-18/h4-15H,1-3H3/b24-14+,25-15+.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine?
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine has a molecular weight of 403.44 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine is sourced from PubChem (CID 56694143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).