N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide

C34H40F3N3O2 — CID 135192636

IUPACN-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2/C=C/c2cc(NC(=O)C(F)(F)F)ccc2OC(C)C)c(C)c1
InChIInChI=1S/C34H40F3N3O2/c1-20(2)42-29-11-10-28(38-33(41)34(35,36)37)19-27(29)9-12-30-39(31-23(5)15-21(3)16-24(31)6)13-14-40(30)32-25(7)17-22(4)18-26(32)8/h9-12,15-20,30H,13-14H2,1-8H3,(H,38,41)/b12-9+
InChIKeyHUJYXOGZODRWBZ-FMIVXFBMSA-N
MW579.71 g/mol
LogP8.19
Rot. Bonds7

About N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide

N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide (PubChem CID 135192636) has the molecular formula C34H40F3N3O2 and a molecular weight of 579.71 g/mol. Its IUPAC name is N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide
PubChem CID135192636
Molecular FormulaC34H40F3N3O2
Molecular Weight579.71 g/mol
Exact Mass579.31
IUPAC NameN-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2/C=C/c2cc(NC(=O)C(F)(F)F)ccc2OC(C)C)c(C)c1
InChIInChI=1S/C34H40F3N3O2/c1-20(2)42-29-11-10-28(38-33(41)34(35,36)37)19-27(29)9-12-30-39(31-23(5)15-21(3)16-24(31)6)13-14-40(30)32-25(7)17-22(4)18-26(32)8/h9-12,15-20,30H,13-14H2,1-8H3,(H,38,41)/b12-9+
InChIKeyHUJYXOGZODRWBZ-FMIVXFBMSA-N
XLogP8.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 170653168
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
N-[2-(difluoromethoxy)-4-methylphenyl]-2,2,2-trifluoroacetamide;N-[3-(difluoromethoxy)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 159203655
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;(5-chloro-2-propan-2-yloxyphenyl)methylideneruthenium(1+);hydrochloride
CID 87271161
2-(cyclopropylmethylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 119802601
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
[2-methyl-5-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl formate
CID 142404780

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide (CID 135192636) is N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2/C=C/c2cc(NC(=O)C(F)(F)F)ccc2OC(C)C)c(C)c1.
What is the InChIKey of N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide?
The InChIKey is HUJYXOGZODRWBZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C34H40F3N3O2/c1-20(2)42-29-11-10-28(38-33(41)34(35,36)37)19-27(29)9-12-30-39(31-23(5)15-21(3)16-24(31)6)13-14-40(30)32-25(7)17-22(4)18-26(32)8/h9-12,15-20,30H,13-14H2,1-8H3,(H,38,41)/b12-9+.
What are the key properties of N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide?
N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide has a molecular weight of 579.71 g/mol, XLogP of 8.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-yl]ethenyl]-4-propan-2-yloxyphenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 135192636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).