N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide

C19H26F3N3O2 — CID 57398651

IUPACN-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)NC1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-12(2)24-15-6-8-16(9-7-15)25-17(26)11-23-18(27)13-4-3-5-14(10-13)19(20,21)22/h3-5,10,12,15-16,24H,6-9,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyUHFOOJOVKSJDJK-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.86
Rot. Bonds6

About N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 57398651) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID57398651
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)NC1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-12(2)24-15-6-8-16(9-7-15)25-17(26)11-23-18(27)13-4-3-5-14(10-13)19(20,21)22/h3-5,10,12,15-16,24H,6-9,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyUHFOOJOVKSJDJK-UHFFFAOYSA-N
XLogP2.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.86
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-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 57398651) is N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide is CC(C)NC1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UHFOOJOVKSJDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-12(2)24-15-6-8-16(9-7-15)25-17(26)11-23-18(27)13-4-3-5-14(10-13)19(20,21)22/h3-5,10,12,15-16,24H,6-9,11H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 385.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(propan-2-ylamino)cyclohexyl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 57398651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).