N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide

C15H18F3NO2 — CID 102418814

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide
SMILESC=CC(N(C(C)=O)[C@@H](COC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-4-14(15(16,17)18)19(11(2)20)13(10-21-3)12-8-6-5-7-9-12/h4-9,13-14H,1,10H2,2-3H3/t13-,14?/m0/s1
InChIKeyIIJIHOVKONCVED-LSLKUGRBSA-N
MW301.31 g/mol
LogP3.34
Rot. Bonds6

About N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide

N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide (PubChem CID 102418814) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide
PubChem CID102418814
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide
SMILESC=CC(N(C(C)=O)[C@@H](COC)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-4-14(15(16,17)18)19(11(2)20)13(10-21-3)12-8-6-5-7-9-12/h4-9,13-14H,1,10H2,2-3H3/t13-,14?/m0/s1
InChIKeyIIJIHOVKONCVED-LSLKUGRBSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.34
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

N-[(1R)-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)hydroxylamine
CID 102040624
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
CID 176962079
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
[(Z,1R)-5,5,5-trifluoro-1-(methoxymethoxy)-1-phenylpent-3-en-2-yl] acetate
CID 102104348
N-[(1S)-2-methoxy-1-phenylethyl]-N-[(1R)-1-phenylpropyl]hydroxylamine
CID 134926804
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
CID 103466165
prop-2-enyl (2R)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate
CID 102257840
N-(furan-2-yl)-N-(1-phenylbut-3-enyl)acetamide
CID 3147167
benzyl 3,3-difluoro-2-[(1R)-2-methoxy-1-phenylethyl]iminohex-5-enoate
CID 101409764
tert-butyl N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[(1R)-1-phenylbut-3-enyl]carbamate
CID 101155768
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide (CID 102418814) is N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide is C=CC(N(C(C)=O)[C@@H](COC)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide?
The InChIKey is IIJIHOVKONCVED-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-4-14(15(16,17)18)19(11(2)20)13(10-21-3)12-8-6-5-7-9-12/h4-9,13-14H,1,10H2,2-3H3/t13-,14?/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide?
N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide has a molecular weight of 301.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-N-(1,1,1-trifluorobut-3-en-2-yl)acetamide is sourced from PubChem (CID 102418814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).