6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide

C16H24N4O5 — CID 21299471

IUPAC6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
SMILESCC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C16H24N4O5/c1-11(21)10-19-12(16(17)25)4-2-3-8-18-13(22)7-9-20-14(23)5-6-15(20)24/h5-6,12,19H,2-4,7-10H2,1H3,(H2,17,25)(H,18,22)
InChIKeyJNRAUVRGEGEDPP-UHFFFAOYSA-N
MW352.39 g/mol
LogP-1.38
Rot. Bonds12

About 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide

6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide (PubChem CID 21299471) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide.

Molecular Properties

Compound Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
PubChem CID21299471
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide
SMILESCC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O
InChIInChI=1S/C16H24N4O5/c1-11(21)10-19-12(16(17)25)4-2-3-8-18-13(22)7-9-20-14(23)5-6-15(20)24/h5-6,12,19H,2-4,7-10H2,1H3,(H2,17,25)(H,18,22)
InChIKeyJNRAUVRGEGEDPP-UHFFFAOYSA-N
XLogP-1.38
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
2-(2,5-Dioxopyrrol-1-yl)hexanamide
CID 18474209
(2S)-2,6-bis(hexanoylamino)-N-prop-2-enoylhexanamide
CID 18639396
3-(2,5-dioxopyrrol-1-yl)-N-[5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide
CID 20710718
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxooctyl]propanamide
CID 20755665
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
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
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide
CID 21299689
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide
CID 21299690

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide?
The IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide (CID 21299471) is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide.
What is the SMILES notation for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide?
The canonical SMILES for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide is CC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O.
What is the InChIKey of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide?
The InChIKey is JNRAUVRGEGEDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-11(21)10-19-12(16(17)25)4-2-3-8-18-13(22)7-9-20-14(23)5-6-15(20)24/h5-6,12,19H,2-4,7-10H2,1H3,(H2,17,25)(H,18,22).
What are the key properties of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide?
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide has a molecular weight of 352.39 g/mol, XLogP of -1.38, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(2-oxopropylamino)hexanamide is sourced from PubChem (CID 21299471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).