N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

C21H27F3N2O — CID 122641383

IUPACN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C21H27F3N2O/c1-2-15(12-14-6-4-3-5-7-14)18-13-19(18)26(20(27)21(22,23)24)17-10-8-16(25)9-11-17/h3-7,12,16-19H,2,8-11,13,25H2,1H3/b15-12+
InChIKeyWUVKGMUZRIKPED-NTCAYCPXSA-N
MW380.45 g/mol
LogP4.53
Rot. Bonds5

About N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (PubChem CID 122641383) has the molecular formula C21H27F3N2O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
PubChem CID122641383
Molecular FormulaC21H27F3N2O
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC NameN-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C21H27F3N2O/c1-2-15(12-14-6-4-3-5-7-14)18-13-19(18)26(20(27)21(22,23)24)17-10-8-16(25)9-11-17/h3-7,12,16-19H,2,8-11,13,25H2,1H3/b15-12+
InChIKeyWUVKGMUZRIKPED-NTCAYCPXSA-N
XLogP4.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (CID 122641383) is N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is CC/C(=C\c1ccccc1)C1CC1N(C(=O)C(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The InChIKey is WUVKGMUZRIKPED-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H27F3N2O/c1-2-15(12-14-6-4-3-5-7-14)18-13-19(18)26(20(27)21(22,23)24)17-10-8-16(25)9-11-17/h3-7,12,16-19H,2,8-11,13,25H2,1H3/b15-12+.
What are the key properties of N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is sourced from PubChem (CID 122641383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).