N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C34H38N4O5 — CID 77473228

About N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 77473228) has the molecular formula C34H38N4O5 and a molecular weight of 582.70 g/mol. Its IUPAC name is N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
• PubChem CID: 77473228
• Molecular Formula: C34H38N4O5
• Molecular Weight: 582.70 g/mol
• Exact Mass: 582.28
• IUPAC Name: N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
• SMILES: CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC(C(=O)C(=O)NC1Cc2ccccc2C1)C(C)C
• InChI: InChI=1S/C34H38N4O5/c1-21(2)29(30(39)34(43)36-27-19-25-16-10-11-17-26(25)20-27)38-31(40)22(3)35-33(42)28(18-23-12-6-4-7-13-23)37-32(41)24-14-8-5-9-15-24/h4-17,21-22,27-29H,18-20H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)(H,38,40)
• InChIKey: JSWKDKLHDUTETN-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 133.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.70
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?

The IUPAC name of N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 77473228) is N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

What is the SMILES notation for N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?

The canonical SMILES for N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC(C(=O)C(=O)NC1Cc2ccccc2C1)C(C)C.

What is the InChIKey of N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?

The InChIKey is JSWKDKLHDUTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O5/c1-21(2)29(30(39)34(43)36-27-19-25-16-10-11-17-26(25)20-27)38-31(40)22(3)35-33(42)28(18-23-12-6-4-7-13-23)37-32(41)24-14-8-5-9-15-24/h4-17,21-22,27-29H,18-20H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)(H,38,40).

What are the key properties of N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?

N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 582.70 g/mol, XLogP of 2.53, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,2-dioxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 77473228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).