ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

C13H18F3N3O4 — CID 2962152

IUPACethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H18F3N3O4/c1-2-23-11(22)18-12(13(14,15)16)9(20)19(10(21)17-12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyDORBPHCZJJBMQQ-UHFFFAOYSA-N
MW337.30 g/mol
LogP1.88
Rot. Bonds3

About ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (PubChem CID 2962152) has the molecular formula C13H18F3N3O4 and a molecular weight of 337.30 g/mol. Its IUPAC name is ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
PubChem CID2962152
Molecular FormulaC13H18F3N3O4
Molecular Weight337.30 g/mol
Exact Mass337.12
IUPAC Nameethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H18F3N3O4/c1-2-23-11(22)18-12(13(14,15)16)9(20)19(10(21)17-12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,17,21)(H,18,22)
InChIKeyDORBPHCZJJBMQQ-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (CID 2962152) is ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is CCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The InChIKey is DORBPHCZJJBMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O4/c1-2-23-11(22)18-12(13(14,15)16)9(20)19(10(21)17-12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,17,21)(H,18,22).
What are the key properties of ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate has a molecular weight of 337.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is sourced from PubChem (CID 2962152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).