N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide

C17H26F3NO — CID 155062157

IUPACN-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide
SMILESCCCN(CCCC1CC(C(F)(F)F)=CC=C1CC)C(C)=O
InChIInChI=1S/C17H26F3NO/c1-4-10-21(13(3)22)11-6-7-15-12-16(17(18,19)20)9-8-14(15)5-2/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyRLFUWQFJNPEWRD-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.87
Rot. Bonds7

About N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide

N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide (PubChem CID 155062157) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide
PubChem CID155062157
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide
SMILESCCCN(CCCC1CC(C(F)(F)F)=CC=C1CC)C(C)=O
InChIInChI=1S/C17H26F3NO/c1-4-10-21(13(3)22)11-6-7-15-12-16(17(18,19)20)9-8-14(15)5-2/h8-9,15H,4-7,10-12H2,1-3H3
InChIKeyRLFUWQFJNPEWRD-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide?
The IUPAC name of N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide (CID 155062157) is N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide.
What is the SMILES notation for N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide?
The canonical SMILES for N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide is CCCN(CCCC1CC(C(F)(F)F)=CC=C1CC)C(C)=O.
What is the InChIKey of N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide?
The InChIKey is RLFUWQFJNPEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3NO/c1-4-10-21(13(3)22)11-6-7-15-12-16(17(18,19)20)9-8-14(15)5-2/h8-9,15H,4-7,10-12H2,1-3H3.
What are the key properties of N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide?
N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide has a molecular weight of 317.40 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-ethyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-N-propylacetamide is sourced from PubChem (CID 155062157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).