3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide

C17H27N3O4 — CID 20755665

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
SMILESCCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CC
InChIInChI=1S/C17H27N3O4/c1-3-14(21)13(18-4-2)7-5-6-11-19-15(22)10-12-20-16(23)8-9-17(20)24/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,19,22)
InChIKeyLSAYQDDLNZCTQJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.55
Rot. Bonds12

About 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide (PubChem CID 20755665) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
PubChem CID20755665
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
SMILESCCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CC
InChIInChI=1S/C17H27N3O4/c1-3-14(21)13(18-4-2)7-5-6-11-19-15(22)10-12-20-16(23)8-9-17(20)24/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,19,22)
InChIKeyLSAYQDDLNZCTQJ-UHFFFAOYSA-N
XLogP0.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5,6-Diamino-6-oxohexyl)-2,5-dihydro-2,5-dioxo-1H-pyrrole-1-propanamide, (S)-
CID 57832067
3-(2,5-dioxopyrrol-1-yl)-N-[5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide
CID 20710718
3-(2,5-dioxopyrrol-1-yl)-N-[5-[(5-ethyldithiolan-3-yl)methylamino]-6-oxooctyl]propanamide
CID 20755664
3-(2,5-dioxopyrrol-1-yl)-N-[6-(dithiiran-3-yl)-5-(methylamino)-6-oxohexyl]propanamide
CID 20755666
2-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)octyl]acetamide
CID 20778308
2,6-bis(tert-butylamino)-N-[3-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propyl]hexanamide
CID 21042087
[6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-1-oxo-1-thiophosphorosohexan-2-yl]azanide
CID 21135496
N-(5-amino-6-oxo-6-thiophosphorosohexyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21135497
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
CID 21299471
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 21299504
N-(5-acetamido-6-oxohexyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299688

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide (CID 20755665) is 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide is CCNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)CC.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide?
The InChIKey is LSAYQDDLNZCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-3-14(21)13(18-4-2)7-5-6-11-19-15(22)10-12-20-16(23)8-9-17(20)24/h8-9,13,18H,3-7,10-12H2,1-2H3,(H,19,22).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 0.55, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide is sourced from PubChem (CID 20755665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).