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

C18H22F3N3O3 — CID 139268157

IUPAC2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)NC(C3CC3)N2)ccc1C(F)(F)F
InChIInChI=1S/C18H22F3N3O3/c1-9(11-5-6-12(18(19,20)21)14(7-11)27-2)22-17(26)13-8-15(25)24-16(23-13)10-3-4-10/h5-7,9-10,13,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyDUZDXQOGXXCVCB-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.11
Rot. Bonds5

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

2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268157) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139268157
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
SMILESCOc1cc(C(C)NC(=O)C2CC(=O)NC(C3CC3)N2)ccc1C(F)(F)F
InChIInChI=1S/C18H22F3N3O3/c1-9(11-5-6-12(18(19,20)21)14(7-11)27-2)22-17(26)13-8-15(25)24-16(23-13)10-3-4-10/h5-7,9-10,13,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyDUZDXQOGXXCVCB-UHFFFAOYSA-N
XLogP2.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268157) is 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is COc1cc(C(C)NC(=O)C2CC(=O)NC(C3CC3)N2)ccc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is DUZDXQOGXXCVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-9(11-5-6-12(18(19,20)21)14(7-11)27-2)22-17(26)13-8-15(25)24-16(23-13)10-3-4-10/h5-7,9-10,13,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide?
2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[3-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).