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

C17H25N3O5 — CID 21299689

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide
SMILESCC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(C)=O
InChIInChI=1S/C17H25N3O5/c1-12(21)11-19-14(13(2)22)5-3-4-9-18-15(23)8-10-20-16(24)6-7-17(20)25/h6-7,14,19H,3-5,8-11H2,1-2H3,(H,18,23)
InChIKeyYMIZAKXZDYRPQD-UHFFFAOYSA-N
MW351.40 g/mol
LogP-0.28
Rot. Bonds12

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

3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide (PubChem CID 21299689) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide
PubChem CID21299689
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide
SMILESCC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(C)=O
InChIInChI=1S/C17H25N3O5/c1-12(21)11-19-14(13(2)22)5-3-4-9-18-15(23)8-10-20-16(24)6-7-17(20)25/h6-7,14,19H,3-5,8-11H2,1-2H3,(H,18,23)
InChIKeyYMIZAKXZDYRPQD-UHFFFAOYSA-N
XLogP-0.28
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide (CID 21299689) is 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide is CC(=O)CNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(C)=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide?
The InChIKey is YMIZAKXZDYRPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-12(21)11-19-14(13(2)22)5-3-4-9-18-15(23)8-10-20-16(24)6-7-17(20)25/h6-7,14,19H,3-5,8-11H2,1-2H3,(H,18,23).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)heptyl]propanamide has a molecular weight of 351.40 g/mol, XLogP of -0.28, 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)heptyl]propanamide is sourced from PubChem (CID 21299689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).