2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide

C19H24F3N3O2 — CID 139268124

IUPAC2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O2/c1-10(2)16(11-5-7-13(8-6-11)19(20,21)22)25-18(27)14-9-15(26)24-17(23-14)12-3-4-12/h5-8,10,12,14,16-17,23H,3-4,9H2,1-2H3,(H,24,26)(H,25,27)/t14?,16-,17?/m1/s1
InChIKeyATDPRHOTBLUPNK-ARWYELJZSA-N
MW383.41 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide

2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268124) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268124
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H24F3N3O2/c1-10(2)16(11-5-7-13(8-6-11)19(20,21)22)25-18(27)14-9-15(26)24-17(23-14)12-3-4-12/h5-8,10,12,14,16-17,23H,3-4,9H2,1-2H3,(H,24,26)(H,25,27)/t14?,16-,17?/m1/s1
InChIKeyATDPRHOTBLUPNK-ARWYELJZSA-N
XLogP2.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide with MolForge

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Related Compounds

N-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-2-cyclopropyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268164
2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268150
2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268162
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
2-cyclopropyl-N-[(R)-cyclopropyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268141
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268005
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(1R)-2-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268434
2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268259
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268124) is 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide is CC(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is ATDPRHOTBLUPNK-ARWYELJZSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-10(2)16(11-5-7-13(8-6-11)19(20,21)22)25-18(27)14-9-15(26)24-17(23-14)12-3-4-12/h5-8,10,12,14,16-17,23H,3-4,9H2,1-2H3,(H,24,26)(H,25,27)/t14?,16-,17?/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).