N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide

C12H21FN2O2 — CID 143418533

IUPACN-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide
SMILESC/C=C(\C=C/CNC(C)=O)C(OC)C(N)CF
InChIInChI=1S/C12H21FN2O2/c1-4-10(6-5-7-15-9(2)16)12(17-3)11(14)8-13/h4-6,11-12H,7-8,14H2,1-3H3,(H,15,16)/b6-5-,10-4+
InChIKeyGOPDZKYHQLDTRK-QYONPMAVSA-N
MW244.31 g/mol
LogP0.94
Rot. Bonds7

About N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide

N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide (PubChem CID 143418533) has the molecular formula C12H21FN2O2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide
PubChem CID143418533
Molecular FormulaC12H21FN2O2
Molecular Weight244.31 g/mol
Exact Mass244.16
IUPAC NameN-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide
SMILESC/C=C(\C=C/CNC(C)=O)C(OC)C(N)CF
InChIInChI=1S/C12H21FN2O2/c1-4-10(6-5-7-15-9(2)16)12(17-3)11(14)8-13/h4-6,11-12H,7-8,14H2,1-3H3,(H,15,16)/b6-5-,10-4+
InChIKeyGOPDZKYHQLDTRK-QYONPMAVSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide 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-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide?
The IUPAC name of N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide (CID 143418533) is N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide.
What is the SMILES notation for N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide?
The canonical SMILES for N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide is C/C=C(\C=C/CNC(C)=O)C(OC)C(N)CF.
What is the InChIKey of N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide?
The InChIKey is GOPDZKYHQLDTRK-QYONPMAVSA-N. The full InChI is InChI=1S/C12H21FN2O2/c1-4-10(6-5-7-15-9(2)16)12(17-3)11(14)8-13/h4-6,11-12H,7-8,14H2,1-3H3,(H,15,16)/b6-5-,10-4+.
What are the key properties of N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide?
N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide has a molecular weight of 244.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,4E)-6-amino-4-ethylidene-7-fluoro-5-methoxyhept-2-enyl]acetamide is sourced from PubChem (CID 143418533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).