1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide

C20H28N4O6 — CID 144870623

IUPAC1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide
SMILESO=CCCNC(=O)CNC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C20H28N4O6/c25-13-5-11-21-15(26)14-23-19(30)20(8-4-9-20)18(29)22-10-2-1-3-12-24-16(27)6-7-17(24)28/h6-7,13H,1-5,8-12,14H2,(H,21,26)(H,22,29)(H,23,30)
InChIKeyMGCFCUMOOJTNMN-UHFFFAOYSA-N
MW420.47 g/mol
LogP-0.81
Rot. Bonds13

About 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide

1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide (PubChem CID 144870623) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide
PubChem CID144870623
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC Name1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide
SMILESO=CCCNC(=O)CNC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1
InChIInChI=1S/C20H28N4O6/c25-13-5-11-21-15(26)14-23-19(30)20(8-4-9-20)18(29)22-10-2-1-3-12-24-16(27)6-7-17(24)28/h6-7,13H,1-5,8-12,14H2,(H,21,26)(H,22,29)(H,23,30)
InChIKeyMGCFCUMOOJTNMN-UHFFFAOYSA-N
XLogP-0.81
TPSA141.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide (CID 144870623) is 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide is O=CCCNC(=O)CNC(=O)C1(C(=O)NCCCCCN2C(=O)C=CC2=O)CCC1.
What is the InChIKey of 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide?
The InChIKey is MGCFCUMOOJTNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c25-13-5-11-21-15(26)14-23-19(30)20(8-4-9-20)18(29)22-10-2-1-3-12-24-16(27)6-7-17(24)28/h6-7,13H,1-5,8-12,14H2,(H,21,26)(H,22,29)(H,23,30).
What are the key properties of 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide?
1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide has a molecular weight of 420.47 g/mol, XLogP of -0.81, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1-N'-[2-oxo-2-(3-oxopropylamino)ethyl]cyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 144870623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).