N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide

C24H33N5O6 — CID 58908933

About N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide

N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (PubChem CID 58908933) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
• PubChem CID: 58908933
• Molecular Formula: C24H33N5O6
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide
• SMILES: CCCC(NC(=O)C1CC(=O)CN1C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C24H33N5O6/c1-5-9-17(26-22(33)18-12-16(30)14-29(18)4)21(32)23(34)25-13-19(31)27-20(24(35)28(2)3)15-10-7-6-8-11-15/h6-8,10-11,17-18,20H,5,9,12-14H2,1-4H3,(H,25,34)(H,26,33)(H,27,31)/t17?,18?,20-/m0/s1
• InChIKey: BBMUDNCDDPQZBN-QLOJAFMTSA-N
• XLogP: -0.82
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?

The IUPAC name of N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide (CID 58908933) is N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is CCCC(NC(=O)C1CC(=O)CN1C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1.

What is the InChIKey of N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?

The InChIKey is BBMUDNCDDPQZBN-QLOJAFMTSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-5-9-17(26-22(33)18-12-16(30)14-29(18)4)21(32)23(34)25-13-19(31)27-20(24(35)28(2)3)15-10-7-6-8-11-15/h6-8,10-11,17-18,20H,5,9,12-14H2,1-4H3,(H,25,34)(H,26,33)(H,27,31)/t17?,18?,20-/m0/s1.

What are the key properties of N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide?

N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of -0.82, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-methyl-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 58908933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).