N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide

C21H23N3O3 — CID 101492217

IUPACN-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide
SMILESCc1ccc2c(c1)NC(=O)C(C(C)(C)C(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-13-9-10-15-16(11-13)24-19(26)17(18(25)23-15)21(2,3)20(27)22-12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyICDTVNRFTAEISN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide

N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide (PubChem CID 101492217) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide
PubChem CID101492217
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide
SMILESCc1ccc2c(c1)NC(=O)C(C(C)(C)C(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C21H23N3O3/c1-13-9-10-15-16(11-13)24-19(26)17(18(25)23-15)21(2,3)20(27)22-12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyICDTVNRFTAEISN-UHFFFAOYSA-N
XLogP2.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)-2-methylpropanamide
CID 101492214
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-2-[(2R)-1-(2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 69038846
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-benzyl-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 795021
3-[methyl-(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 91579104
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide?
The IUPAC name of N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide (CID 101492217) is N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide?
The canonical SMILES for N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide is Cc1ccc2c(c1)NC(=O)C(C(C)(C)C(=O)NCc1ccccc1)C(=O)N2.
What is the InChIKey of N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide?
The InChIKey is ICDTVNRFTAEISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-9-10-15-16(11-13)24-19(26)17(18(25)23-15)21(2,3)20(27)22-12-14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide?
N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-2-(7-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-3-yl)propanamide is sourced from PubChem (CID 101492217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).