3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide

C18H23N5O6 — CID 59281652

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H23N5O6/c24-13(5-11-22-15(26)1-2-16(22)27)20-9-7-19-8-10-21-14(25)6-12-23-17(28)3-4-18(23)29/h1-4,19H,5-12H2,(H,20,24)(H,21,25)
InChIKeyXJNNLWOYSBOLII-UHFFFAOYSA-N
MW405.41 g/mol
LogP-2.56
Rot. Bonds12

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide (PubChem CID 59281652) has the molecular formula C18H23N5O6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide
PubChem CID59281652
Molecular FormulaC18H23N5O6
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCNCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H23N5O6/c24-13(5-11-22-15(26)1-2-16(22)27)20-9-7-19-8-10-21-14(25)6-12-23-17(28)3-4-18(23)29/h1-4,19H,5-12H2,(H,20,24)(H,21,25)
InChIKeyXJNNLWOYSBOLII-UHFFFAOYSA-N
XLogP-2.56
TPSA144.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 5-2.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]carbamoyl fluoride
CID 144854244
1-[3-[2-(2-Aminoethylamino)ethylamino]propyl]pyrrole-2,5-dione
CID 91552481
N-[2-[bis[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]ethyl]amino]ethyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 15755512
1-[2-[3-(Methylamino)propylamino]ethyl]pyrrole-2,5-dione
CID 20666018
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methoxyamino)ethyl]propanamide
CID 20710717
N-(3-acetamidopropyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 21042088
3-(2,5-dioxopyrrol-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 21135495
N-[2-(aminomethylamino)ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21135498
3-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 21299486
3-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 21299489
N-(2-amino-2-oxoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299691
1-[2-[2-(2,5-Dioxopyrrol-1-yl)ethyl-[2-(propan-2-ylamino)ethyl]amino]ethyl]pyrrole-2,5-dione
CID 23397602

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide (CID 59281652) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCNCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide?
The InChIKey is XJNNLWOYSBOLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O6/c24-13(5-11-22-15(26)1-2-16(22)27)20-9-7-19-8-10-21-14(25)6-12-23-17(28)3-4-18(23)29/h1-4,19H,5-12H2,(H,20,24)(H,21,25).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide has a molecular weight of 405.41 g/mol, XLogP of -2.56, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]ethyl]propanamide is sourced from PubChem (CID 59281652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).