4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide

C32H32N6O3 — CID 75965267

IUPAC4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C=NNC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N6O3/c1-37(2)27-13-9-25(10-14-27)31(39)35-33-21-23-5-17-29(18-6-23)41-30-19-7-24(8-20-30)22-34-36-32(40)26-11-15-28(16-12-26)38(3)4/h5-22H,1-4H3,(H,35,39)(H,36,40)
InChIKeyDBJLCFHULYWGSZ-UHFFFAOYSA-N
MW548.65 g/mol
LogP5.14
Rot. Bonds10

About 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide

4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide (PubChem CID 75965267) has the molecular formula C32H32N6O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
PubChem CID75965267
Molecular FormulaC32H32N6O3
Molecular Weight548.65 g/mol
Exact Mass548.25
IUPAC Name4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C=NNC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H32N6O3/c1-37(2)27-13-9-25(10-14-27)31(39)35-33-21-23-5-17-29(18-6-23)41-30-19-7-24(8-20-30)22-34-36-32(40)26-11-15-28(16-12-26)38(3)4/h5-22H,1-4H3,(H,35,39)(H,36,40)
InChIKeyDBJLCFHULYWGSZ-UHFFFAOYSA-N
XLogP5.14
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5443006
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 21229401

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide (CID 75965267) is 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide is CN(C)c1ccc(C(=O)NN=Cc2ccc(Oc3ccc(C=NNC(=O)c4ccc(N(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide?
The InChIKey is DBJLCFHULYWGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3/c1-37(2)27-13-9-25(10-14-27)31(39)35-33-21-23-5-17-29(18-6-23)41-30-19-7-24(8-20-30)22-34-36-32(40)26-11-15-28(16-12-26)38(3)4/h5-22H,1-4H3,(H,35,39)(H,36,40).
What are the key properties of 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide?
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide has a molecular weight of 548.65 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 75965267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).