ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate

C17H21F3N2O4 — CID 56926505

IUPACethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CN1CCC(CC)(C(F)(F)F)OC1=O
InChIInChI=1S/C17H21F3N2O4/c1-3-16(17(18,19)20)9-10-22(15(24)26-16)11-12-7-5-6-8-13(12)21-14(23)25-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyKZZGKZGEYLNZQK-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.31
Rot. Bonds5

About ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate

ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate (PubChem CID 56926505) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate
PubChem CID56926505
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Nameethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CN1CCC(CC)(C(F)(F)F)OC1=O
InChIInChI=1S/C17H21F3N2O4/c1-3-16(17(18,19)20)9-10-22(15(24)26-16)11-12-7-5-6-8-13(12)21-14(23)25-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyKZZGKZGEYLNZQK-UHFFFAOYSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate with MolForge

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Related Compounds

Tert-butyl 4-(4-amino-3-methylphenyl)piperazine-1-carboxylate
CID 44522398
1-(9-Aminononyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53323772
Ethyl 4-[[3-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 118396004
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
1-(7-Aminoheptyl)piperidin-4-yl biphenyl-2-ylcarbamate
CID 53317170
Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester
CID 10851461
1-Propylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53317169
1-Methylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53318454
Biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester
CID 53319786
1-Butylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53321084
1-Undecylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53325043
1-Ethylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53326338

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate (CID 56926505) is ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate is CCOC(=O)Nc1ccccc1CN1CCC(CC)(C(F)(F)F)OC1=O.
What is the InChIKey of ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate?
The InChIKey is KZZGKZGEYLNZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-3-16(17(18,19)20)9-10-22(15(24)26-16)11-12-7-5-6-8-13(12)21-14(23)25-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,23).
What are the key properties of ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate?
ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate has a molecular weight of 374.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[6-ethyl-2-oxo-6-(trifluoromethyl)-1,3-oxazinan-3-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 56926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).