N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide

C25H26N4O2 — CID 73340916

IUPACN-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2C(=O)NNC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-29(2)20-15-13-19(14-16-20)26-24(30)22-21(17-9-5-3-6-10-17)23(27-28-25(22)31)18-11-7-4-8-12-18/h3-16,21-23,27H,1-2H3,(H,26,30)(H,28,31)
InChIKeyMFFUMXCAPOBPNJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide

N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide (PubChem CID 73340916) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide
PubChem CID73340916
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2C(=O)NNC(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2/c1-29(2)20-15-13-19(14-16-20)26-24(30)22-21(17-9-5-3-6-10-17)23(27-28-25(22)31)18-11-7-4-8-12-18/h3-16,21-23,27H,1-2H3,(H,26,30)(H,28,31)
InChIKeyMFFUMXCAPOBPNJ-UHFFFAOYSA-N
XLogP3.47
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide (CID 73340916) is N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide is CN(C)c1ccc(NC(=O)C2C(=O)NNC(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide?
The InChIKey is MFFUMXCAPOBPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-29(2)20-15-13-19(14-16-20)26-24(30)22-21(17-9-5-3-6-10-17)23(27-28-25(22)31)18-11-7-4-8-12-18/h3-16,21-23,27H,1-2H3,(H,26,30)(H,28,31).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide?
N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-oxo-5,6-diphenyldiazinane-4-carboxamide is sourced from PubChem (CID 73340916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).