N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

C19H21N3O2 — CID 2814468

IUPACN-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2c3ccccc3NC(=O)CC2C)c1
InChIInChI=1S/C19H21N3O2/c1-12-8-13(2)10-15(9-12)20-19(24)22-14(3)11-18(23)21-16-6-4-5-7-17(16)22/h4-10,14H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeySJUNNHVPJQBBDR-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.07
Rot. Bonds1

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

N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 2814468) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID2814468
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2c3ccccc3NC(=O)CC2C)c1
InChIInChI=1S/C19H21N3O2/c1-12-8-13(2)10-15(9-12)20-19(24)22-14(3)11-18(23)21-16-6-4-5-7-17(16)22/h4-10,14H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeySJUNNHVPJQBBDR-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 6934559
(4S)-N-(2,3-dichlorophenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 6976050
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
(4S)-4-methyl-5-(1-methyl-2-oxopyridine-4-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 95934027
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
N-(3,5-dimethylphenyl)-7-oxo-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 46366924
(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
(4S)-5-[2-(4-bromophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 7560327
(4S)-4-methyl-5-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40505811
(4S)-5-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 41390590
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
N,3-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzamide
CID 42927689

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 2814468) is N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is Cc1cc(C)cc(NC(=O)N2c3ccccc3NC(=O)CC2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is SJUNNHVPJQBBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-8-13(2)10-15(9-12)20-19(24)22-14(3)11-18(23)21-16-6-4-5-7-17(16)22/h4-10,14H,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 2814468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).