N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline

C23H23N3O4 — CID 3666072

IUPACN-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline
SMILESCc1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H23N3O4/c1-18-7-2-4-9-22(18)29-15-6-16-30-23-10-5-3-8-19(23)17-24-25-20-11-13-21(14-12-20)26(27)28/h2-5,7-14,17,25H,6,15-16H2,1H3
InChIKeySYHBFQLQQZUDKP-UHFFFAOYSA-N
MW405.45 g/mol
LogP5.20
Rot. Bonds10

About N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline

N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline (PubChem CID 3666072) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline
PubChem CID3666072
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline
SMILESCc1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H23N3O4/c1-18-7-2-4-9-22(18)29-15-6-16-30-23-10-5-3-8-19(23)17-24-25-20-11-13-21(14-12-20)26(27)28/h2-5,7-14,17,25H,6,15-16H2,1H3
InChIKeySYHBFQLQQZUDKP-UHFFFAOYSA-N
XLogP5.20
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.20
H-Bond Donors ≤ 51
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'}

Analyze N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline
CID 3357833
N-[[2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl]methylideneamino]-4-nitroaniline
CID 3656315
N-[(E)-[2-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-4-nitroaniline
CID 27235822
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96881846
N-[[2-[3-(4-ethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-4-nitroaniline
CID 3972292
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]aniline
CID 126087402
[2-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 5457549
3-(2-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308609
N-[(2-methylphenyl)methylideneamino]-3-nitroaniline
CID 4617596
N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 110338645

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline?
The IUPAC name of N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline (CID 3666072) is N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline is Cc1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline?
The InChIKey is SYHBFQLQQZUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-18-7-2-4-9-22(18)29-15-6-16-30-23-10-5-3-8-19(23)17-24-25-20-11-13-21(14-12-20)26(27)28/h2-5,7-14,17,25H,6,15-16H2,1H3.
What are the key properties of N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline?
N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline has a molecular weight of 405.45 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline is sourced from PubChem (CID 3666072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).