N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide

C32H36F3N3O2 — CID 42699431

IUPACN-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36F3N3O2/c33-32(34,35)28-18-10-11-19-29(28)36-31(40)38(27-16-8-3-9-17-27)23-21-30(39)37(24-26-14-6-2-7-15-26)22-20-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-19,27H,3,8-9,16-17,20-24H2,(H,36,40)
InChIKeyDRHNOYSKOUPPLX-UHFFFAOYSA-N
MW551.65 g/mol
LogP7.53
Rot. Bonds10

About N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide

N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide (PubChem CID 42699431) has the molecular formula C32H36F3N3O2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
PubChem CID42699431
Molecular FormulaC32H36F3N3O2
Molecular Weight551.65 g/mol
Exact Mass551.28
IUPAC NameN-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36F3N3O2/c33-32(34,35)28-18-10-11-19-29(28)36-31(40)38(27-16-8-3-9-17-27)23-21-30(39)37(24-26-14-6-2-7-15-26)22-20-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-19,27H,3,8-9,16-17,20-24H2,(H,36,40)
InChIKeyDRHNOYSKOUPPLX-UHFFFAOYSA-N
XLogP7.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
CID 42699430
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
CID 42697979
N-benzyl-3-phenyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]propanamide
CID 42704140
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4574808
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
1-cyclohexyl-1-(2-hydroxyethyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 75449821
1-[(1-benzylpyrrol-2-yl)methyl]-1-cyclopropyl-3-[2-(trifluoromethyl)phenyl]urea
CID 3550889
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide (CID 42699431) is N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide is O=C(CCN(C(=O)Nc1ccccc1C(F)(F)F)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide?
The InChIKey is DRHNOYSKOUPPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N3O2/c33-32(34,35)28-18-10-11-19-29(28)36-31(40)38(27-16-8-3-9-17-27)23-21-30(39)37(24-26-14-6-2-7-15-26)22-20-25-12-4-1-5-13-25/h1-2,4-7,10-15,18-19,27H,3,8-9,16-17,20-24H2,(H,36,40).
What are the key properties of N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide?
N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide has a molecular weight of 551.65 g/mol, XLogP of 7.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42699431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).