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

C16H20F3N3O2 — CID 139267976

IUPAC2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(CC(F)(F)F)cc2)N1
InChIInChI=1S/C16H20F3N3O2/c1-9(12-5-3-11(4-6-12)8-16(17,18)19)20-15(24)13-7-14(23)22-10(2)21-13/h3-6,9-10,13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,10?,13?/m1/s1
InChIKeyVMFJDANZHAPGMT-TTXORMCVSA-N
MW343.35 g/mol
LogP1.79
Rot. Bonds4

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

2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139267976) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139267976
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(CC(F)(F)F)cc2)N1
InChIInChI=1S/C16H20F3N3O2/c1-9(12-5-3-11(4-6-12)8-16(17,18)19)20-15(24)13-7-14(23)22-10(2)21-13/h3-6,9-10,13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,10?,13?/m1/s1
InChIKeyVMFJDANZHAPGMT-TTXORMCVSA-N
XLogP1.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
US9815796, Example 244
CID 139268175
US9815796, Example 262
CID 139268193
US9815796, Example 337
CID 139268261
US9815796, Example 435
CID 139268358
US9815796, Example 439
CID 139268362
US10285989, Example 1
CID 145996093
US10285989, Example 2
CID 145996094
US10285989, Example 26
CID 145996108
US10285989, Example 31
CID 145996112
US10285989, Example 37
CID 145996118
US10285989, Example 38
CID 145996119

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139267976) is 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(CC(F)(F)F)cc2)N1.
What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is VMFJDANZHAPGMT-TTXORMCVSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9(12-5-3-11(4-6-12)8-16(17,18)19)20-15(24)13-7-14(23)22-10(2)21-13/h3-6,9-10,13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,10?,13?/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).