(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide

C19H29F2N3O2 — CID 170629003

IUPAC(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide
SMILESCC/C=C/C=C(\C=C(/C)CN)C(=O)NC(C)C(=O)N1CC(F)(F)CC1C
InChIInChI=1S/C19H29F2N3O2/c1-5-6-7-8-16(9-13(2)11-22)17(25)23-15(4)18(26)24-12-19(20,21)10-14(24)3/h6-9,14-15H,5,10-12,22H2,1-4H3,(H,23,25)/b7-6+,13-9+,16-8+
InChIKeyMCHROPNKUGYXMJ-IJWJRJMYSA-N
MW369.46 g/mol
LogP2.54
Rot. Bonds7

About (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide

(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide (PubChem CID 170629003) has the molecular formula C19H29F2N3O2 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide
PubChem CID170629003
Molecular FormulaC19H29F2N3O2
Molecular Weight369.46 g/mol
Exact Mass369.22
IUPAC Name(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide
SMILESCC/C=C/C=C(\C=C(/C)CN)C(=O)NC(C)C(=O)N1CC(F)(F)CC1C
InChIInChI=1S/C19H29F2N3O2/c1-5-6-7-8-16(9-13(2)11-22)17(25)23-15(4)18(26)24-12-19(20,21)10-14(24)3/h6-9,14-15H,5,10-12,22H2,1-4H3,(H,23,25)/b7-6+,13-9+,16-8+
InChIKeyMCHROPNKUGYXMJ-IJWJRJMYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide 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 (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide (CID 170629003) is (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide is CC/C=C/C=C(\C=C(/C)CN)C(=O)NC(C)C(=O)N1CC(F)(F)CC1C.
What is the InChIKey of (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide?
The InChIKey is MCHROPNKUGYXMJ-IJWJRJMYSA-N. The full InChI is InChI=1S/C19H29F2N3O2/c1-5-6-7-8-16(9-13(2)11-22)17(25)23-15(4)18(26)24-12-19(20,21)10-14(24)3/h6-9,14-15H,5,10-12,22H2,1-4H3,(H,23,25)/b7-6+,13-9+,16-8+.
What are the key properties of (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide?
(2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide has a molecular weight of 369.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-[(E)-3-amino-2-methylprop-1-enyl]-N-[1-(4,4-difluoro-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]hepta-2,4-dienamide is sourced from PubChem (CID 170629003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).