N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide

C15H27FN2O3 — CID 142124973

IUPACN-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide
SMILESCCCCCC(C)C(=O)NC(CC(=O)NCC)C(=O)CF
InChIInChI=1S/C15H27FN2O3/c1-4-6-7-8-11(3)15(21)18-12(13(19)10-16)9-14(20)17-5-2/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyHWVUPUJJYYKDSX-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.75
Rot. Bonds11

About N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide

N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide (PubChem CID 142124973) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide
PubChem CID142124973
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC NameN-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide
SMILESCCCCCC(C)C(=O)NC(CC(=O)NCC)C(=O)CF
InChIInChI=1S/C15H27FN2O3/c1-4-6-7-8-11(3)15(21)18-12(13(19)10-16)9-14(20)17-5-2/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyHWVUPUJJYYKDSX-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide 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 N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide?
The IUPAC name of N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide (CID 142124973) is N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide.
What is the SMILES notation for N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide?
The canonical SMILES for N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide is CCCCCC(C)C(=O)NC(CC(=O)NCC)C(=O)CF.
What is the InChIKey of N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide?
The InChIKey is HWVUPUJJYYKDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-4-6-7-8-11(3)15(21)18-12(13(19)10-16)9-14(20)17-5-2/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide?
N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide has a molecular weight of 302.39 g/mol, XLogP of 1.75, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-5-fluoro-1,4-dioxopentan-3-yl]-2-methylheptanamide is sourced from PubChem (CID 142124973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).