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

C16H20F3N3O4 — CID 139268044

IUPAC2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCOCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C16H20F3N3O4/c1-9(10-3-5-11(6-4-10)26-16(17,18)19)20-15(24)12-7-14(23)22-13(21-12)8-25-2/h3-6,9,12-13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,12?,13?/m1/s1
InChIKeyZYUHNQRFVDPLCW-UHEGKEBESA-N
MW375.35 g/mol
LogP1.21
Rot. Bonds6

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

2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268044) has the molecular formula C16H20F3N3O4 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268044
Molecular FormulaC16H20F3N3O4
Molecular Weight375.35 g/mol
Exact Mass375.14
IUPAC Name2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCOCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C16H20F3N3O4/c1-9(10-3-5-11(6-4-10)26-16(17,18)19)20-15(24)12-7-14(23)22-13(21-12)8-25-2/h3-6,9,12-13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,12?,13?/m1/s1
InChIKeyZYUHNQRFVDPLCW-UHEGKEBESA-N
XLogP1.21
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
2-ethyl-6-oxo-N-[(1R)-1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268522
6-oxo-2-phenyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268345
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinane-4-carboxamide
CID 139268389
(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623
2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611684
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268044) is 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide is COCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)N1.
What is the InChIKey of 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is ZYUHNQRFVDPLCW-UHEGKEBESA-N. The full InChI is InChI=1S/C16H20F3N3O4/c1-9(10-3-5-11(6-4-10)26-16(17,18)19)20-15(24)12-7-14(23)22-13(21-12)8-25-2/h3-6,9,12-13,21H,7-8H2,1-2H3,(H,20,24)(H,22,23)/t9-,12?,13?/m1/s1.
What are the key properties of 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 375.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).