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

C24H25N5O2 — CID 136502259

IUPACN-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
SMILESCOc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-5-7-19(8-6-17)24(30)28-27-23(18-9-13-21(14-10-18)29(2)3)26-25-20-11-15-22(31-4)16-12-20/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23+
InChIKeyFAOHROBJSWOSPK-QBRFHGNMSA-N
MW415.50 g/mol
LogP4.95
Rot. Bonds6

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

N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide (PubChem CID 136502259) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
PubChem CID136502259
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
SMILESCOc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H25N5O2/c1-17-5-7-19(8-6-17)24(30)28-27-23(18-9-13-21(14-10-18)29(2)3)26-25-20-11-15-22(31-4)16-12-20/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23+
InChIKeyFAOHROBJSWOSPK-QBRFHGNMSA-N
XLogP4.95
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[[4-(dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide
CID 135426618
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
4-(dimethylamino)-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzamide
CID 5411726
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The IUPAC name of N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide (CID 136502259) is N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide is COc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
The InChIKey is FAOHROBJSWOSPK-QBRFHGNMSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17-5-7-19(8-6-17)24(30)28-27-23(18-9-13-21(14-10-18)29(2)3)26-25-20-11-15-22(31-4)16-12-20/h5-16H,1-4H3,(H,28,30)/b26-25+,27-23+.
What are the key properties of N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide?
N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[[4-(dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide is sourced from PubChem (CID 136502259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).