N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide

C26H27N3O4 — CID 41244021

IUPACN-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
SMILESCOc1ccc(OC)c(/C(C)=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O4/c1-19(23-18-22(32-2)14-15-24(23)33-3)27-28-25(30)16-17-26(31)29(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18H,16-17H2,1-3H3,(H,28,30)/b27-19+
InChIKeyWHQGFFLJEOOHKP-ZXVVBBHZSA-N
MW445.52 g/mol
LogP4.69
Rot. Bonds9

About N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide

N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide (PubChem CID 41244021) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
PubChem CID41244021
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
SMILESCOc1ccc(OC)c(/C(C)=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O4/c1-19(23-18-22(32-2)14-15-24(23)33-3)27-28-25(30)16-17-26(31)29(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18H,16-17H2,1-3H3,(H,28,30)/b27-19+
InChIKeyWHQGFFLJEOOHKP-ZXVVBBHZSA-N
XLogP4.69
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 6052542
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316623
1-benzyl-3-[1-(2,5-dimethoxyphenyl)ethylideneamino]thiourea
CID 4066207
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6260157
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6259144
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
N-[2-[2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3805270

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The IUPAC name of N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide (CID 41244021) is N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide.
What is the SMILES notation for N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The canonical SMILES for N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide is COc1ccc(OC)c(/C(C)=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The InChIKey is WHQGFFLJEOOHKP-ZXVVBBHZSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-19(23-18-22(32-2)14-15-24(23)33-3)27-28-25(30)16-17-26(31)29(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18H,16-17H2,1-3H3,(H,28,30)/b27-19+.
What are the key properties of N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide has a molecular weight of 445.52 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide is sourced from PubChem (CID 41244021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).