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

C16H20F3N3O2 — CID 139267956

IUPAC2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1C(C)NC(=O)C1CC(=O)NC(C)N1
InChIInChI=1S/C16H20F3N3O2/c1-8-6-11(16(17,18)19)4-5-12(8)9(2)20-15(24)13-7-14(23)22-10(3)21-13/h4-6,9-10,13,21H,7H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRPUMJRRVBRUUAZ-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.02
Rot. Bonds3

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

2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139267956) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139267956
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCc1cc(C(F)(F)F)ccc1C(C)NC(=O)C1CC(=O)NC(C)N1
InChIInChI=1S/C16H20F3N3O2/c1-8-6-11(16(17,18)19)4-5-12(8)9(2)20-15(24)13-7-14(23)22-10(3)21-13/h4-6,9-10,13,21H,7H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyRPUMJRRVBRUUAZ-UHFFFAOYSA-N
XLogP2.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139267956) is 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is Cc1cc(C(F)(F)F)ccc1C(C)NC(=O)C1CC(=O)NC(C)N1.
What is the InChIKey of 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is RPUMJRRVBRUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-8-6-11(16(17,18)19)4-5-12(8)9(2)20-15(24)13-7-14(23)22-10(3)21-13/h4-6,9-10,13,21H,7H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).