2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide

C16H20F3NO2 — CID 77146558

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide
SMILESC=CC(CC(C)C)N(C(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C16H20F3NO2/c1-5-12(10-11(2)3)20(15(21)16(17,18)19)13-6-8-14(22-4)9-7-13/h5-9,11-12H,1,10H2,2-4H3
InChIKeySSNRDTIGQWWNSF-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.19
Rot. Bonds6

About 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide

2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide (PubChem CID 77146558) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide
PubChem CID77146558
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide
SMILESC=CC(CC(C)C)N(C(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C16H20F3NO2/c1-5-12(10-11(2)3)20(15(21)16(17,18)19)13-6-8-14(22-4)9-7-13/h5-9,11-12H,1,10H2,2-4H3
InChIKeySSNRDTIGQWWNSF-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1S,2R)-1-(4-methoxyphenyl)-2-nitro-3-phenylpropyl]acetamide
CID 59051451
ethyl (4S)-4-(4-methoxy-N-(2,2,2-trifluoroacetyl)anilino)-4-methylhex-5-enoate
CID 135069490
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1R,2S,3R)-2-nitro-1,3-diphenylpentyl]acetamide
CID 53231276
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1S,2R)-2-nitro-1-phenyl-3-[2-(trifluoromethyl)phenyl]propyl]acetamide
CID 59051992
ethyl 2-diazo-3-(4-methoxy-N-(2,2,2-trifluoroacetyl)anilino)nonanoate
CID 102255780
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
N-(4-methoxyphenyl)-2-[methyl-(2,2,2-trifluoroacetyl)amino]propanamide
CID 10614448
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293885
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 92647501

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide (CID 77146558) is 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide is C=CC(CC(C)C)N(C(=O)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide?
The InChIKey is SSNRDTIGQWWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-5-12(10-11(2)3)20(15(21)16(17,18)19)13-6-8-14(22-4)9-7-13/h5-9,11-12H,1,10H2,2-4H3.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide?
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide has a molecular weight of 315.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide is sourced from PubChem (CID 77146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).