N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine

C24H26N2O3 — CID 15999229

IUPACN-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine
SMILESCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H26N2O3/c1-29-23-7-4-20(24-12-17-8-18(13-24)10-19(9-17)14-24)11-22(23)25-15-16-2-5-21(6-3-16)26(27)28/h2-7,11,15,17-19H,8-10,12-14H2,1H3/b25-15+
InChIKeyWDXCXVJQONTHFT-MFKUBSTISA-N
MW390.48 g/mol
LogP5.82
Rot. Bonds5

About N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine

N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine (PubChem CID 15999229) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine
PubChem CID15999229
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine
SMILESCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H26N2O3/c1-29-23-7-4-20(24-12-17-8-18(13-24)10-19(9-17)14-24)11-22(23)25-15-16-2-5-21(6-3-16)26(27)28/h2-7,11,15,17-19H,8-10,12-14H2,1H3/b25-15+
InChIKeyWDXCXVJQONTHFT-MFKUBSTISA-N
XLogP5.82
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxy-5-nitrophenyl)adamantane
CID 5305343
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
N-(2,5-dimethoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-imine
CID 4102744
1-[5-(1-adamantyl)-2,4-bis(4-nitrophenoxy)phenyl]adamantane
CID 86623821
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]-1-(4-nitrophenyl)methanimine
CID 10029831
N'-[(E)-(4-nitrophenyl)methylideneamino]adamantane-1-carboximidamide
CID 56693486
methyl 4-[[3-(1-adamantyl)-4-methoxyphenyl]methylideneamino]benzoate
CID 67591566
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
[2-methoxy-4-[(4-nitrophenyl)iminomethyl]phenyl] cyclopropanecarboxylate
CID 23791098

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine?
The IUPAC name of N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine (CID 15999229) is N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine.
What is the SMILES notation for N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine?
The canonical SMILES for N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine is COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine?
The InChIKey is WDXCXVJQONTHFT-MFKUBSTISA-N. The full InChI is InChI=1S/C24H26N2O3/c1-29-23-7-4-20(24-12-17-8-18(13-24)10-19(9-17)14-24)11-22(23)25-15-16-2-5-21(6-3-16)26(27)28/h2-7,11,15,17-19H,8-10,12-14H2,1H3/b25-15+.
What are the key properties of N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine?
N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine has a molecular weight of 390.48 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-2-methoxyphenyl]-1-(4-nitrophenyl)methanimine is sourced from PubChem (CID 15999229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).