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

C20H26F3N3O2 — CID 139268193

IUPAC2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H26F3N3O2/c1-19(2,3)16(11-6-8-13(9-7-11)20(21,22)23)26-18(28)14-10-15(27)25-17(24-14)12-4-5-12/h6-9,12,14,16-17,24H,4-5,10H2,1-3H3,(H,25,27)(H,26,28)/t14?,16-,17?/m0/s1
InChIKeyUPCGJLXMHBJMHS-WIHSUSGWSA-N
MW397.44 g/mol
LogP3.12
Rot. Bonds4

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

2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268193) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268193
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(C2CC2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H26F3N3O2/c1-19(2,3)16(11-6-8-13(9-7-11)20(21,22)23)26-18(28)14-10-15(27)25-17(24-14)12-4-5-12/h6-9,12,14,16-17,24H,4-5,10H2,1-3H3,(H,25,27)(H,26,28)/t14?,16-,17?/m0/s1
InChIKeyUPCGJLXMHBJMHS-WIHSUSGWSA-N
XLogP3.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268193) is 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide is CC(C)(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)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is UPCGJLXMHBJMHS-WIHSUSGWSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-19(2,3)16(11-6-8-13(9-7-11)20(21,22)23)26-18(28)14-10-15(27)25-17(24-14)12-4-5-12/h6-9,12,14,16-17,24H,4-5,10H2,1-3H3,(H,25,27)(H,26,28)/t14?,16-,17?/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).