3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide

C16H23N3O5 — CID 21299690

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide
SMILESCC(=O)CNC(C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N3O5/c1-12(21)10-18-13(11-20)4-2-3-8-17-14(22)7-9-19-15(23)5-6-16(19)24/h5-6,11,13,18H,2-4,7-10H2,1H3,(H,17,22)
InChIKeyPEEIIPGYDGGGAK-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.67
Rot. Bonds12

About 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide (PubChem CID 21299690) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide
PubChem CID21299690
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide
SMILESCC(=O)CNC(C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C16H23N3O5/c1-12(21)10-18-13(11-20)4-2-3-8-17-14(22)7-9-19-15(23)5-6-16(19)24/h5-6,11,13,18H,2-4,7-10H2,1H3,(H,17,22)
InChIKeyPEEIIPGYDGGGAK-UHFFFAOYSA-N
XLogP-0.67
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide (CID 21299690) is 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide is CC(=O)CNC(C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide?
The InChIKey is PEEIIPGYDGGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-12(21)10-18-13(11-20)4-2-3-8-17-14(22)7-9-19-15(23)5-6-16(19)24/h5-6,11,13,18H,2-4,7-10H2,1H3,(H,17,22).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of -0.67, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide is sourced from PubChem (CID 21299690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).