N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C25H24N4O2 — CID 3241670

IUPACN-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-28(2)20-14-12-19(13-15-20)27-23(30)17-29-22-11-7-6-10-21(22)25(26-16-24(29)31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyINHKRAUHZHFOQE-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.58
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 3241670) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID3241670
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H24N4O2/c1-28(2)20-14-12-19(13-15-20)27-23(30)17-29-22-11-7-6-10-21(22)25(26-16-24(29)31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyINHKRAUHZHFOQE-UHFFFAOYSA-N
XLogP3.58
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nimetazepam
CID 4496
L 365260
CID 5311201
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
7-Aminoflunitrazepam
CID 92294
RO-05-2921
CID 76175
7-Aminonitrazepam
CID 78641
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
Compound E
CID 11306390
1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 613843
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 1108855
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 3241670) is N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is CN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is INHKRAUHZHFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-28(2)20-14-12-19(13-15-20)27-23(30)17-29-22-11-7-6-10-21(22)25(26-16-24(29)31)18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.58, 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]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 3241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).