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

C20H21N3O3 — CID 646610

IUPACN-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-14(19(25)21-12-15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)20(26)22(2)13-18(23)24/h3-11,14H,12-13H2,1-2H3,(H,21,25)
InChIKeyCZXXKSWRJRHNSU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.81
Rot. Bonds4

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

N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide (PubChem CID 646610) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide
PubChem CID646610
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21
InChIInChI=1S/C20H21N3O3/c1-14(19(25)21-12-15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)20(26)22(2)13-18(23)24/h3-11,14H,12-13H2,1-2H3,(H,21,25)
InChIKeyCZXXKSWRJRHNSU-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide?
The IUPAC name of N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide (CID 646610) is N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide?
The canonical SMILES for N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide is CC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21.
What is the InChIKey of N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide?
The InChIKey is CZXXKSWRJRHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(19(25)21-12-15-8-4-3-5-9-15)23-17-11-7-6-10-16(17)20(26)22(2)13-18(23)24/h3-11,14H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide?
N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)propanamide is sourced from PubChem (CID 646610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).