N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide

C25H25N3O3 — CID 6052542

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-19(20-13-15-23(31-2)16-14-20)26-27-24(29)17-18-25(30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3,(H,27,29)/b26-19-
InChIKeyMJUVELXPVPZYFW-XHPQRKPJSA-N
MW415.49 g/mol
LogP4.68
Rot. Bonds8

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide (PubChem CID 6052542) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
PubChem CID6052542
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-19(20-13-15-23(31-2)16-14-20)26-27-24(29)17-18-25(30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3,(H,27,29)/b26-19-
InChIKeyMJUVELXPVPZYFW-XHPQRKPJSA-N
XLogP4.68
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-1-(2,5-dimethoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide
CID 41244021
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N',N'-diphenyl-N-(1-thiophen-2-ylethylideneamino)butanediamide
CID 3886917
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide (CID 6052542) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide is COc1ccc(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
The InChIKey is MJUVELXPVPZYFW-XHPQRKPJSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-19(20-13-15-23(31-2)16-14-20)26-27-24(29)17-18-25(30)28(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16H,17-18H2,1-2H3,(H,27,29)/b26-19-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide has a molecular weight of 415.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-N',N'-diphenylbutanediamide is sourced from PubChem (CID 6052542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).