N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide

C26H32F3N3O2 — CID 24801344

IUPACN-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H32F3N3O2/c1-17(2)19-12-10-18(11-13-19)15-30-22-8-3-4-9-23(22)32-24(33)16-31-25(34)20-6-5-7-21(14-20)26(27,28)29/h5-7,10-14,17,22-23,30H,3-4,8-9,15-16H2,1-2H3,(H,31,34)(H,32,33)/t22-,23+/m1/s1
InChIKeyOSMDZUZOJFHZGW-PKTZIBPZSA-N
MW475.56 g/mol
LogP4.78
Rot. Bonds8

About N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 24801344) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID24801344
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC NameN-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H32F3N3O2/c1-17(2)19-12-10-18(11-13-19)15-30-22-8-3-4-9-23(22)32-24(33)16-31-25(34)20-6-5-7-21(14-20)26(27,28)29/h5-7,10-14,17,22-23,30H,3-4,8-9,15-16H2,1-2H3,(H,31,34)(H,32,33)/t22-,23+/m1/s1
InChIKeyOSMDZUZOJFHZGW-PKTZIBPZSA-N
XLogP4.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 24801344) is N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide is CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OSMDZUZOJFHZGW-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-17(2)19-12-10-18(11-13-19)15-30-22-8-3-4-9-23(22)32-24(33)16-31-25(34)20-6-5-7-21(14-20)26(27,28)29/h5-7,10-14,17,22-23,30H,3-4,8-9,15-16H2,1-2H3,(H,31,34)(H,32,33)/t22-,23+/m1/s1.
What are the key properties of N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 475.56 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1S,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24801344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).