(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide

C16H20F3NO2 — CID 96521769

IUPAC(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
SMILESC[C@@H](CCNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-11(5-7-20-15(21)13-6-8-22-10-13)12-3-2-4-14(9-12)16(17,18)19/h2-4,9,11,13H,5-8,10H2,1H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyRIYGUDWSHHKEEU-WCQYABFASA-N
MW315.33 g/mol
LogP3.35
Rot. Bonds5

About (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide

(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide (PubChem CID 96521769) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
PubChem CID96521769
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
SMILESC[C@@H](CCNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3NO2/c1-11(5-7-20-15(21)13-6-8-22-10-13)12-3-2-4-14(9-12)16(17,18)19/h2-4,9,11,13H,5-8,10H2,1H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyRIYGUDWSHHKEEU-WCQYABFASA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
CID 119814995
1-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004719
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]butyl]urea
CID 111542860
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119341574
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-cyclopropyl-4-[[N'-methyl-N-[3-[3-(trifluoromethyl)phenyl]butyl]carbamimidoyl]amino]butanamide
CID 111711609
N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]-2H-triazole-4-carboxamide
CID 96521766
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]amino]propanoic acid
CID 122004723
2-methyl-1-propan-2-yl-3-[3-[3-(trifluoromethyl)phenyl]butyl]guanidine
CID 111834603
2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
CID 119940303

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide (CID 96521769) is (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide is C[C@@H](CCNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide?
The InChIKey is RIYGUDWSHHKEEU-WCQYABFASA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11(5-7-20-15(21)13-6-8-22-10-13)12-3-2-4-14(9-12)16(17,18)19/h2-4,9,11,13H,5-8,10H2,1H3,(H,20,21)/t11-,13+/m0/s1.
What are the key properties of (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide?
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide is sourced from PubChem (CID 96521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).