N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide

C23H29F3N2O2 — CID 16557098

IUPACN-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H29F3N2O2/c1-14(18-3-2-4-19(10-18)23(24,25)26)28-20(29)5-6-27-21(30)22-11-15-7-16(12-22)9-17(8-15)13-22/h2-4,10,14-17H,5-9,11-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyLVMRWSGMFIMUCJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.61
Rot. Bonds6

About N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide (PubChem CID 16557098) has the molecular formula C23H29F3N2O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
PubChem CID16557098
Molecular FormulaC23H29F3N2O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide
SMILESCC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H29F3N2O2/c1-14(18-3-2-4-19(10-18)23(24,25)26)28-20(29)5-6-27-21(30)22-11-15-7-16(12-22)9-17(8-15)13-22/h2-4,10,14-17H,5-9,11-13H2,1H3,(H,27,30)(H,28,29)
InChIKeyLVMRWSGMFIMUCJ-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(phenylcarbamoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 40817603
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
N-[3-[[cyclopropyl(phenyl)methyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51295981
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 51308768
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-[3-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 86950290
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18111449

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide (CID 16557098) is N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide is CC(NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide?
The InChIKey is LVMRWSGMFIMUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O2/c1-14(18-3-2-4-19(10-18)23(24,25)26)28-20(29)5-6-27-21(30)22-11-15-7-16(12-22)9-17(8-15)13-22/h2-4,10,14-17H,5-9,11-13H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 16557098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).