N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide

C18H24F3NO — CID 10758591

IUPACN-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=C[C@@H](CCC)N(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-6-8-14(7-2)22(16(23)17(3,4)5)15-11-9-13(10-12-15)18(19,20)21/h7,9-12,14H,2,6,8H2,1,3-5H3/t14-/m0/s1
InChIKeyUQBLLKWVEUXSQF-AWEZNQCLSA-N
MW327.39 g/mol
LogP5.44
Rot. Bonds5

About N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide

N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 10758591) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID10758591
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=C[C@@H](CCC)N(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-6-8-14(7-2)22(16(23)17(3,4)5)15-11-9-13(10-12-15)18(19,20)21/h7,9-12,14H,2,6,8H2,1,3-5H3/t14-/m0/s1
InChIKeyUQBLLKWVEUXSQF-AWEZNQCLSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide
CID 11483456
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
2-methyl-3-[N-prop-2-enyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317719
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 135213457
2-[[4-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 65224223
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 154621376

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 10758591) is N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide is C=C[C@@H](CCC)N(C(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UQBLLKWVEUXSQF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-6-8-14(7-2)22(16(23)17(3,4)5)15-11-9-13(10-12-15)18(19,20)21/h7,9-12,14H,2,6,8H2,1,3-5H3/t14-/m0/s1.
What are the key properties of N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 327.39 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 10758591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).