(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

C12H15N3O2 — CID 6934559

IUPAC(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCNC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
InChIInChI=1S/C12H15N3O2/c1-8-7-11(16)14-9-5-3-4-6-10(9)15(8)12(17)13-2/h3-6,8H,7H2,1-2H3,(H,13,17)(H,14,16)/t8-/m0/s1
InChIKeyZYWATYHMAHIDIH-QMMMGPOBSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds

About (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 6934559) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID6934559
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCNC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
InChIInChI=1S/C12H15N3O2/c1-8-7-11(16)14-9-5-3-4-6-10(9)15(8)12(17)13-2/h3-6,8H,7H2,1-2H3,(H,13,17)(H,14,16)/t8-/m0/s1
InChIKeyZYWATYHMAHIDIH-QMMMGPOBSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 2814468
(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 6976050
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192
5-[2-(4-fluorophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46805072
(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
(4S)-4-methyl-5-(1-methyl-2-oxopyridine-4-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 95934027
(4S)-4-methyl-5-(2-morpholin-4-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7101275
[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] benzoate
CID 46805856
(4S)-5-[2-(4-bromophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7560327
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358

Frequently Asked Questions

What is the IUPAC name of (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 6934559) is (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is CNC(=O)N1c2ccccc2NC(=O)C[C@@H]1C.
What is the InChIKey of (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is ZYWATYHMAHIDIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-7-11(16)14-9-5-3-4-6-10(9)15(8)12(17)13-2/h3-6,8H,7H2,1-2H3,(H,13,17)(H,14,16)/t8-/m0/s1.
What are the key properties of (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 6934559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).