N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide

C17H21N3O5 — CID 58771414

IUPACN-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide
SMILESCC(=O)NC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O5/c1-12(21)18-13(4-2-10-19-14(22)6-7-15(19)23)5-3-11-20-16(24)8-9-17(20)25/h6-9,13H,2-5,10-11H2,1H3,(H,18,21)
InChIKeyFDDDONXHOQFISV-UHFFFAOYSA-N
MW347.37 g/mol
LogP-0.10
Rot. Bonds9

About N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide

N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide (PubChem CID 58771414) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide.

Molecular Properties

Compound NameN-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide
PubChem CID58771414
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide
SMILESCC(=O)NC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H21N3O5/c1-12(21)18-13(4-2-10-19-14(22)6-7-15(19)23)5-3-11-20-16(24)8-9-17(20)25/h6-9,13H,2-5,10-11H2,1H3,(H,18,21)
InChIKeyFDDDONXHOQFISV-UHFFFAOYSA-N
XLogP-0.10
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide?
The IUPAC name of N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide (CID 58771414) is N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide.
What is the SMILES notation for N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide?
The canonical SMILES for N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide is CC(=O)NC(CCCN1C(=O)C=CC1=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide?
The InChIKey is FDDDONXHOQFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-12(21)18-13(4-2-10-19-14(22)6-7-15(19)23)5-3-11-20-16(24)8-9-17(20)25/h6-9,13H,2-5,10-11H2,1H3,(H,18,21).
What are the key properties of N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide?
N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide has a molecular weight of 347.37 g/mol, XLogP of -0.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-yl]acetamide is sourced from PubChem (CID 58771414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).