N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide

C18H25F6N3O3 — CID 91413361

IUPACN-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESC=CC=C(C)CC(C)NC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C18H25F6N3O3/c1-4-7-11(2)10-12(3)26-14(28)13(27-16(30)18(22,23)24)8-5-6-9-25-15(29)17(19,20)21/h4,7,12-13H,1,5-6,8-10H2,2-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDOFUWXKVZVYVLT-UHFFFAOYSA-N
MW445.40 g/mol
LogP2.91
Rot. Bonds11

About N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide

N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide (PubChem CID 91413361) has the molecular formula C18H25F6N3O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide
PubChem CID91413361
Molecular FormulaC18H25F6N3O3
Molecular Weight445.40 g/mol
Exact Mass445.18
IUPAC NameN-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide
SMILESC=CC=C(C)CC(C)NC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F
InChIInChI=1S/C18H25F6N3O3/c1-4-7-11(2)10-12(3)26-14(28)13(27-16(30)18(22,23)24)8-5-6-9-25-15(29)17(19,20)21/h4,7,12-13H,1,5-6,8-10H2,2-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyDOFUWXKVZVYVLT-UHFFFAOYSA-N
XLogP2.91
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]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 N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide?
The IUPAC name of N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide (CID 91413361) is N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide.
What is the SMILES notation for N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide?
The canonical SMILES for N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide is C=CC=C(C)CC(C)NC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F.
What is the InChIKey of N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide?
The InChIKey is DOFUWXKVZVYVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F6N3O3/c1-4-7-11(2)10-12(3)26-14(28)13(27-16(30)18(22,23)24)8-5-6-9-25-15(29)17(19,20)21/h4,7,12-13H,1,5-6,8-10H2,2-3H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide?
N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide has a molecular weight of 445.40 g/mol, XLogP of 2.91, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhepta-4,6-dien-2-yl)-2,6-bis[(2,2,2-trifluoroacetyl)amino]hexanamide is sourced from PubChem (CID 91413361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).