2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide

C26H26N2O6 — CID 2436196

IUPAC2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccc(OC)c(C=C(C(=O)Nc2ccccc2OC)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C26H26N2O6/c1-31-18-13-14-22(32-2)17(15-18)16-19(25(29)27-20-9-5-7-11-23(20)33-3)26(30)28-21-10-6-8-12-24(21)34-4/h5-16H,1-4H3,(H,27,29)(H,28,30)
InChIKeyBJVFCEGMTPQWRM-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.38
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide

2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide (PubChem CID 2436196) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
PubChem CID2436196
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
SMILESCOc1ccc(OC)c(C=C(C(=O)Nc2ccccc2OC)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C26H26N2O6/c1-31-18-13-14-22(32-2)17(15-18)16-19(25(29)27-20-9-5-7-11-23(20)33-3)26(30)28-21-10-6-8-12-24(21)34-4/h5-16H,1-4H3,(H,27,29)(H,28,30)
InChIKeyBJVFCEGMTPQWRM-UHFFFAOYSA-N
XLogP4.38
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-methoxyphenyl)-2-[[2-(trifluoromethyl)phenyl]methylidene]propanediamide
CID 2369819
2-[(2,3-dichlorophenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide
CID 16554527
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
CID 9446851
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N-[(Z)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5443009
N,N'-bis(2-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 2445487
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
(E)-2-cyano-N,3-bis(2-methoxyphenyl)prop-2-enamide
CID 2713805
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide (CID 2436196) is 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide is COc1ccc(OC)c(C=C(C(=O)Nc2ccccc2OC)C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
The InChIKey is BJVFCEGMTPQWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-18-13-14-22(32-2)17(15-18)16-19(25(29)27-20-9-5-7-11-23(20)33-3)26(30)28-21-10-6-8-12-24(21)34-4/h5-16H,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide?
2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide has a molecular weight of 462.50 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methylidene]-N,N'-bis(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 2436196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).