6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide

C18H30N4O4 — CID 23516853

IUPAC6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide
SMILESCCN(C)CCNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N4O4/c1-3-21(2)14-12-20-15(23)7-5-4-6-11-19-16(24)10-13-22-17(25)8-9-18(22)26/h8-9H,3-7,10-14H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyKASGYFHFNLKYHD-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.05
Rot. Bonds13

About 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide

6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide (PubChem CID 23516853) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide.

Molecular Properties

Compound Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide
PubChem CID23516853
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide
SMILESCCN(C)CCNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N4O4/c1-3-21(2)14-12-20-15(23)7-5-4-6-11-19-16(24)10-13-22-17(25)8-9-18(22)26/h8-9H,3-7,10-14H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyKASGYFHFNLKYHD-UHFFFAOYSA-N
XLogP0.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide?
The IUPAC name of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide (CID 23516853) is 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide.
What is the SMILES notation for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide?
The canonical SMILES for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide is CCN(C)CCNC(=O)CCCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide?
The InChIKey is KASGYFHFNLKYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-3-21(2)14-12-20-15(23)7-5-4-6-11-19-16(24)10-13-22-17(25)8-9-18(22)26/h8-9H,3-7,10-14H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide?
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide has a molecular weight of 366.46 g/mol, XLogP of 0.05, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[2-[ethyl(methyl)amino]ethyl]hexanamide is sourced from PubChem (CID 23516853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).