4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea

C33H61N7O10 — CID 145155013

About 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea

4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea (PubChem CID 145155013) has the molecular formula C33H61N7O10 and a molecular weight of 715.89 g/mol. Its IUPAC name is 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea.

Molecular Properties

• Compound Name: 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea
• PubChem CID: 145155013
• Molecular Formula: C33H61N7O10
• Molecular Weight: 715.89 g/mol
• Exact Mass: 715.45
• IUPAC Name: 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea
• SMILES: CC.CC(C)C(C)NC(=O)CCC(C)(C)OCCN1C(=O)C=CC1=O.CCCN(CC(=O)NCC(=O)O)C(=O)CNC=O.CCCNC(N)=O
• InChI: InChI=1S/C17H28N2O4.C10H17N3O5.C4H10N2O.C2H6/c1-12(2)13(3)18-14(20)8-9-17(4,5)23-11-10-19-15(21)6-7-16(19)22;1-2-3-13(9(16)4-11-7-14)6-8(15)12-5-10(17)18;1-2-3-6-4(5)7;1-2/h6-7,12-13H,8-11H2,1-5H3,(H,18,20);7H,2-6H2,1H3,(H,11,14)(H,12,15)(H,17,18);2-3H2,1H3,(H3,5,6,7);1-2H3
• InChIKey: ISZIITZZHIHMTM-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 246.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.89
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea?

The IUPAC name of 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea (CID 145155013) is 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea.

What is the SMILES notation for 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea?

The canonical SMILES for 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea is CC.CC(C)C(C)NC(=O)CCC(C)(C)OCCN1C(=O)C=CC1=O.CCCN(CC(=O)NCC(=O)O)C(=O)CNC=O.CCCNC(N)=O.

What is the InChIKey of 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea?

The InChIKey is ISZIITZZHIHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4.C10H17N3O5.C4H10N2O.C2H6/c1-12(2)13(3)18-14(20)8-9-17(4,5)23-11-10-19-15(21)6-7-16(19)22;1-2-3-13(9(16)4-11-7-14)6-8(15)12-5-10(17)18;1-2-3-6-4(5)7;1-2/h6-7,12-13H,8-11H2,1-5H3,(H,18,20);7H,2-6H2,1H3,(H,11,14)(H,12,15)(H,17,18);2-3H2,1H3,(H3,5,6,7);1-2H3.

What are the key properties of 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea?

4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea has a molecular weight of 715.89 g/mol, XLogP of 0.91, 20 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]-4-methyl-N-(3-methylbutan-2-yl)pentanamide;ethane;2-[[2-[(2-formamidoacetyl)-propylamino]acetyl]amino]acetic acid;propylurea is sourced from PubChem (CID 145155013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).