N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

C16H27N3O3 — CID 23557841

IUPACN-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCCCCN(CCCC)CCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N3O3/c1-3-5-10-18(11-6-4-2)12-9-17-14(20)13-19-15(21)7-8-16(19)22/h7-8H,3-6,9-13H2,1-2H3,(H,17,20)
InChIKeyYGAONIBTLSKVCB-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.93
Rot. Bonds11

About N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide

N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 23557841) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID23557841
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESCCCCN(CCCC)CCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C16H27N3O3/c1-3-5-10-18(11-6-4-2)12-9-17-14(20)13-19-15(21)7-8-16(19)22/h7-8H,3-6,9-13H2,1-2H3,(H,17,20)
InChIKeyYGAONIBTLSKVCB-UHFFFAOYSA-N
XLogP0.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 23557841) is N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is CCCCN(CCCC)CCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is YGAONIBTLSKVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-5-10-18(11-6-4-2)12-9-17-14(20)13-19-15(21)7-8-16(19)22/h7-8H,3-6,9-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dibutylamino)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 23557841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).