2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C26H33F3N4O2 — CID 46052748

IUPAC2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C26H33F3N4O2/c1-19(2)31-25(35)33(18-21-5-9-22(10-6-21)26(27,28)29)23-11-7-20(8-12-23)17-24(34)30-13-16-32-14-3-4-15-32/h5-12,19H,3-4,13-18H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyMDQCXZNXKPGUIY-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.58
Rot. Bonds9

About 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 46052748) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID46052748
Molecular FormulaC26H33F3N4O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCCN2CCCC2)cc1
InChIInChI=1S/C26H33F3N4O2/c1-19(2)31-25(35)33(18-21-5-9-22(10-6-21)26(27,28)29)23-11-7-20(8-12-23)17-24(34)30-13-16-32-14-3-4-15-32/h5-12,19H,3-4,13-18H2,1-2H3,(H,30,34)(H,31,35)
InChIKeyMDQCXZNXKPGUIY-UHFFFAOYSA-N
XLogP4.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046898
N-[(2S)-butan-2-yl]-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 93329546
N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046919
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052353
N-[(3-fluorophenyl)methyl]-4-methyl-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46052597
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052561
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 46052748) is 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)NCCN2CCCC2)cc1.
What is the InChIKey of 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is MDQCXZNXKPGUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O2/c1-19(2)31-25(35)33(18-21-5-9-22(10-6-21)26(27,28)29)23-11-7-20(8-12-23)17-24(34)30-13-16-32-14-3-4-15-32/h5-12,19H,3-4,13-18H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 490.57 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 46052748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).