ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate

C15H18F3N3O3 — CID 12721841

IUPACethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
SMILESCCOC(=O)N1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14(23)21-9-4-3-8-20(21)13(22)19-12-7-5-6-11(10-12)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyHYRLUVMFGQRZBD-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.71
Rot. Bonds2

About ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate

ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate (PubChem CID 12721841) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
PubChem CID12721841
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Nameethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
SMILESCCOC(=O)N1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14(23)21-9-4-3-8-20(21)13(22)19-12-7-5-6-11(10-12)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyHYRLUVMFGQRZBD-UHFFFAOYSA-N
XLogP3.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
ethyl 2-[(4-chlorophenyl)carbamoyl]diazinane-1-carboxylate
CID 12721837
ethyl 2-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2309713
ethyl 2-piperidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 4246663
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
ethyl 3-amino-3-[3-(trifluoromethyl)anilino]prop-2-enoate
CID 2774309
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
CID 89006052
CID 89006052

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate?
The IUPAC name of ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate (CID 12721841) is ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate?
The canonical SMILES for ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate is CCOC(=O)N1CCCCN1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate?
The InChIKey is HYRLUVMFGQRZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-2-24-14(23)21-9-4-3-8-20(21)13(22)19-12-7-5-6-11(10-12)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3,(H,19,22).
What are the key properties of ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate?
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate has a molecular weight of 345.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate is sourced from PubChem (CID 12721841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).