3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide

C27H36F3N3O — CID 154663584

IUPAC3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
SMILESCCN(CC)c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C27H36F3N3O/c1-3-33(4-2)25-18-23(31-19-21-10-13-22(14-11-21)27(28,29)30)15-16-24(25)32-26(34)17-12-20-8-6-5-7-9-20/h10-11,13-16,18,20,31H,3-9,12,17,19H2,1-2H3,(H,32,34)
InChIKeyVQNQPJXSTVIIFS-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.46
Rot. Bonds10

About 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide

3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide (PubChem CID 154663584) has the molecular formula C27H36F3N3O and a molecular weight of 475.60 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
PubChem CID154663584
Molecular FormulaC27H36F3N3O
Molecular Weight475.60 g/mol
Exact Mass475.28
IUPAC Name3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide
SMILESCCN(CC)c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C27H36F3N3O/c1-3-33(4-2)25-18-23(31-19-21-10-13-22(14-11-21)27(28,29)30)15-16-24(25)32-26(34)17-12-20-8-6-5-7-9-20/h10-11,13-16,18,20,31H,3-9,12,17,19H2,1-2H3,(H,32,34)
InChIKeyVQNQPJXSTVIIFS-UHFFFAOYSA-N
XLogP7.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]butanamide
CID 154663741
N-[2-amino-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-3-cyclohexylpropanamide
CID 154663570
N-[2-piperidin-1-yl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]octanamide
CID 154663601
N-[2-fluoro-4-[[4-(trifluoromethyl)anilino]methyl]phenyl]butanamide
CID 10066693
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
N-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]benzamide
CID 175986266
N-[3-[(2-aminoacetyl)amino]-4-ethylphenyl]-3-cyclohexylpropanamide
CID 39185368
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide (CID 154663584) is 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide is CCN(CC)c1cc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide?
The InChIKey is VQNQPJXSTVIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N3O/c1-3-33(4-2)25-18-23(31-19-21-10-13-22(14-11-21)27(28,29)30)15-16-24(25)32-26(34)17-12-20-8-6-5-7-9-20/h10-11,13-16,18,20,31H,3-9,12,17,19H2,1-2H3,(H,32,34).
What are the key properties of 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide?
3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide has a molecular weight of 475.60 g/mol, XLogP of 7.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(diethylamino)-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]propanamide is sourced from PubChem (CID 154663584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).