2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid

C23H24F3NO4 — CID 118910630

IUPAC2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid
SMILESCCC(C(=O)O)C1Cc2ccc(OC)cc2Cc2cc(CNC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C23H24F3NO4/c1-3-18(21(28)29)20-11-14-5-6-17(31-2)10-15(14)9-16-8-13(4-7-19(16)20)12-27-22(30)23(24,25)26/h4-8,10,18,20H,3,9,11-12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBWWJLORMUFYRCW-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.22
Rot. Bonds6

About 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid

2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid (PubChem CID 118910630) has the molecular formula C23H24F3NO4 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid.

Molecular Properties

Compound Name2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid
PubChem CID118910630
Molecular FormulaC23H24F3NO4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Name2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid
SMILESCCC(C(=O)O)C1Cc2ccc(OC)cc2Cc2cc(CNC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C23H24F3NO4/c1-3-18(21(28)29)20-11-14-5-6-17(31-2)10-15(14)9-16-8-13(4-7-19(16)20)12-27-22(30)23(24,25)26/h4-8,10,18,20H,3,9,11-12H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBWWJLORMUFYRCW-UHFFFAOYSA-N
XLogP4.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid with MolForge

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Related Compounds

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CID 143097704
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CID 162451351
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
2,2,2-trifluoro-N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide
CID 11076588
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
CID 108934640
3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
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CID 160877367
4-[[(6-methoxy-2,3-dihydro-1H-indene-1-carbonyl)amino]methyl]benzoic acid
CID 138054713
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid?
The IUPAC name of 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid (CID 118910630) is 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid.
What is the SMILES notation for 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid?
The canonical SMILES for 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid is CCC(C(=O)O)C1Cc2ccc(OC)cc2Cc2cc(CNC(=O)C(F)(F)F)ccc21.
What is the InChIKey of 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid?
The InChIKey is BWWJLORMUFYRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4/c1-3-18(21(28)29)20-11-14-5-6-17(31-2)10-15(14)9-16-8-13(4-7-19(16)20)12-27-22(30)23(24,25)26/h4-8,10,18,20H,3,9,11-12H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid?
2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid has a molecular weight of 435.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[14-methoxy-5-[[(2,2,2-trifluoroacetyl)amino]methyl]-9-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl]butanoic acid is sourced from PubChem (CID 118910630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).