N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide

C22H27N3O5 — CID 3643753

IUPACN-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
SMILESCCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H27N3O5/c1-5-29-19-12-7-16(13-20(19)30-6-2)14-23-25-22(27)15(3)21(26)24-17-8-10-18(28-4)11-9-17/h7-15H,5-6H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyCXVSADOUVAAXJE-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.22
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide

N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide (PubChem CID 3643753) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
PubChem CID3643753
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
SMILESCCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C22H27N3O5/c1-5-29-19-12-7-16(13-20(19)30-6-2)14-23-25-22(27)15(3)21(26)24-17-8-10-18(28-4)11-9-17/h7-15H,5-6H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyCXVSADOUVAAXJE-UHFFFAOYSA-N
XLogP3.22
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.22
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-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide 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-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-propan-2-ylpropanediamide
CID 3965802
N-[(3,4-dimethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4275631
N-[(3-bromo-4-butoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3277232
N-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3894482
N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)-2-methylpropanediamide
CID 3424197
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3428521
methyl 2-[2-bromo-4-[[[3-(4-methoxyanilino)-2-methyl-3-oxopropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3990523
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
N-[[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 4687352
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 4575722
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 2857028

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide (CID 3643753) is N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide is CCOc1ccc(C=NNC(=O)C(C)C(=O)Nc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
The InChIKey is CXVSADOUVAAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-29-19-12-7-16(13-20(19)30-6-2)14-23-25-22(27)15(3)21(26)24-17-8-10-18(28-4)11-9-17/h7-15H,5-6H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide?
N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide has a molecular weight of 413.47 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide is sourced from PubChem (CID 3643753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).