N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide

C24H25N5O — CID 135426618

IUPACN-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
SMILESCc1ccc(/N=N/C(=NNC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-17-5-9-20(10-6-17)24(30)28-27-23(19-11-15-22(16-12-19)29(3)4)26-25-21-13-7-18(2)8-14-21/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23?
InChIKeyDKULMVZYSRSXNH-DMXSXOGMSA-N
MW399.50 g/mol
LogP5.24
Rot. Bonds5

About N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide

N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide (PubChem CID 135426618) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
PubChem CID135426618
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
SMILESCc1ccc(/N=N/C(=NNC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-17-5-9-20(10-6-17)24(30)28-27-23(19-11-15-22(16-12-19)29(3)4)26-25-21-13-7-18(2)8-14-21/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23?
InChIKeyDKULMVZYSRSXNH-DMXSXOGMSA-N
XLogP5.24
TPSA69.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
CID 136502259
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909

Frequently Asked Questions

What is the IUPAC name of N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The IUPAC name of N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide (CID 135426618) is N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide.
What is the SMILES notation for N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The canonical SMILES for N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide is Cc1ccc(/N=N/C(=NNC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The InChIKey is DKULMVZYSRSXNH-DMXSXOGMSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-5-9-20(10-6-17)24(30)28-27-23(19-11-15-22(16-12-19)29(3)4)26-25-21-13-7-18(2)8-14-21/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23?.
What are the key properties of N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide has a molecular weight of 399.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide is sourced from PubChem (CID 135426618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).