N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C18H24F3NO3 — CID 99996832

IUPACN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC[C@@H](O)C1CCOCC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-4-1-13(2-5-15)3-6-17(24)22-10-7-16(23)14-8-11-25-12-9-14/h1-2,4-5,14,16,23H,3,6-12H2,(H,22,24)/t16-/m1/s1
InChIKeyKYHBTQMIEOAFAI-MRXNPFEDSA-N
MW359.39 g/mol
LogP2.93
Rot. Bonds7

About N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 99996832) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID99996832
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC NameN-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC[C@@H](O)C1CCOCC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-4-1-13(2-5-15)3-6-17(24)22-10-7-16(23)14-8-11-25-12-9-14/h1-2,4-5,14,16,23H,3,6-12H2,(H,22,24)/t16-/m1/s1
InChIKeyKYHBTQMIEOAFAI-MRXNPFEDSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-4-(trifluoromethyl)benzenesulfonamide
CID 99996999
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
CID 99997106
N-[(4-phenylsulfanyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717046
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
CID 95632333
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90137143
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 99996832) is N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NCC[C@@H](O)C1CCOCC1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KYHBTQMIEOAFAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24F3NO3/c19-18(20,21)15-4-1-13(2-5-15)3-6-17(24)22-10-7-16(23)14-8-11-25-12-9-14/h1-2,4-5,14,16,23H,3,6-12H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 99996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).