(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C17H22F3NO3 — CID 100757807

IUPAC(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C17H22F3NO3/c1-2-13(15(22)21-10-16(23)7-8-24-11-16)9-12-3-5-14(6-4-12)17(18,19)20/h3-6,13,23H,2,7-11H2,1H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyVCMKQUKWOHHOMD-CZUORRHYSA-N
MW345.36 g/mol
LogP2.54
Rot. Bonds6

About (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide

(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 100757807) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID100757807
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C17H22F3NO3/c1-2-13(15(22)21-10-16(23)7-8-24-11-16)9-12-3-5-14(6-4-12)17(18,19)20/h3-6,13,23H,2,7-11H2,1H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyVCMKQUKWOHHOMD-CZUORRHYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 129399312
(2R)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757725
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042123
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
CID 113349154

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 100757807) is (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@]1(O)CCOC1.
What is the InChIKey of (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is VCMKQUKWOHHOMD-CZUORRHYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-2-13(15(22)21-10-16(23)7-8-24-11-16)9-12-3-5-14(6-4-12)17(18,19)20/h3-6,13,23H,2,7-11H2,1H3,(H,21,22)/t13-,16-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 345.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 100757807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).