N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide

C28H31N3O5 — CID 3459143

IUPACN-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide
SMILESCOc1ccc(COc2ccc(C=NNC(=O)C(C(=O)Nc3ccc(OC)cc3)C(C)C)cc2)cc1
InChIInChI=1S/C28H31N3O5/c1-19(2)26(27(32)30-22-9-15-24(35-4)16-10-22)28(33)31-29-17-20-5-13-25(14-6-20)36-18-21-7-11-23(34-3)12-8-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyNFIIXIHKWDVFMC-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.64
Rot. Bonds11

About N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide

N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide (PubChem CID 3459143) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide
PubChem CID3459143
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC NameN-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide
SMILESCOc1ccc(COc2ccc(C=NNC(=O)C(C(=O)Nc3ccc(OC)cc3)C(C)C)cc2)cc1
InChIInChI=1S/C28H31N3O5/c1-19(2)26(27(32)30-22-9-15-24(35-4)16-10-22)28(33)31-29-17-20-5-13-25(14-6-20)36-18-21-7-11-23(34-3)12-8-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyNFIIXIHKWDVFMC-UHFFFAOYSA-N
XLogP4.64
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide 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-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3999202
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5109215
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 4253817
N-[[4-[(4-cyanophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5134228
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
N-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 3273860
N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 3965802
N-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 5032597
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 135625793
N-[(3-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 4027713
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
4-methoxy-N-[3-methyl-1-oxo-1-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]butan-2-yl]benzamide
CID 3300933

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide (CID 3459143) is N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide is COc1ccc(COc2ccc(C=NNC(=O)C(C(=O)Nc3ccc(OC)cc3)C(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide?
The InChIKey is NFIIXIHKWDVFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19(2)26(27(32)30-22-9-15-24(35-4)16-10-22)28(33)31-29-17-20-5-13-25(14-6-20)36-18-21-7-11-23(34-3)12-8-21/h5-17,19,26H,18H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide?
N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide has a molecular weight of 489.57 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-propan-2-ylpropanediamide is sourced from PubChem (CID 3459143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).