N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide

C18H20N4O2 — CID 4105739

IUPACN-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-16-8-4-14(5-9-16)12-19-21-18(24)15-6-10-17(11-7-15)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyJBRDJTAGNSXRGY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.47
Rot. Bonds5

About N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide

N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide (PubChem CID 4105739) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
PubChem CID4105739
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-16-8-4-14(5-9-16)12-19-21-18(24)15-6-10-17(11-7-15)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyJBRDJTAGNSXRGY-UHFFFAOYSA-N
XLogP2.47
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
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

4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
N-(4-acetamidophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 171981399
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 5443006
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide (CID 4105739) is N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide is CC(=O)Nc1ccc(C=NNC(=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide?
The InChIKey is JBRDJTAGNSXRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)20-16-8-4-14(5-9-16)12-19-21-18(24)15-6-10-17(11-7-15)22(2)3/h4-12H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide?
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide is sourced from PubChem (CID 4105739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).