3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide

C19H21N3O4 — CID 75531922

About 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide (PubChem CID 75531922) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
• PubChem CID: 75531922
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide
• SMILES: CC(Cc1ccco1)NC(=O)CCC1NC(=O)c2ccccc2NC1=O
• InChI: InChI=1S/C19H21N3O4/c1-12(11-13-5-4-10-26-13)20-17(23)9-8-16-19(25)21-15-7-3-2-6-14(15)18(24)22-16/h2-7,10,12,16H,8-9,11H2,1H3,(H,20,23)(H,21,25)(H,22,24)
• InChIKey: AZDLOEAVJLWCCN-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 100.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?

The IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide (CID 75531922) is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide.

What is the SMILES notation for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?

The canonical SMILES for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide is CC(Cc1ccco1)NC(=O)CCC1NC(=O)c2ccccc2NC1=O.

What is the InChIKey of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?

The InChIKey is AZDLOEAVJLWCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(11-13-5-4-10-26-13)20-17(23)9-8-16-19(25)21-15-7-3-2-6-14(15)18(24)22-16/h2-7,10,12,16H,8-9,11H2,1H3,(H,20,23)(H,21,25)(H,22,24).

What are the key properties of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide?

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide has a molecular weight of 355.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]propanamide is sourced from PubChem (CID 75531922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).