ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate

C17H25FN2O3 — CID 22884193

IUPACethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate
SMILESCCOC(=O)N(Cc1ccc(F)cc1)C[C@H]1CCC[C@H](CN)O1
InChIInChI=1S/C17H25FN2O3/c1-2-22-17(21)20(11-13-6-8-14(18)9-7-13)12-16-5-3-4-15(10-19)23-16/h6-9,15-16H,2-5,10-12,19H2,1H3/t15-,16-/m1/s1
InChIKeyAEPLYGSPXKMOHA-HZPDHXFCSA-N
MW324.40 g/mol
LogP2.68
Rot. Bonds6

About ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate

ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate (PubChem CID 22884193) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate
PubChem CID22884193
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nameethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate
SMILESCCOC(=O)N(Cc1ccc(F)cc1)C[C@H]1CCC[C@H](CN)O1
InChIInChI=1S/C17H25FN2O3/c1-2-22-17(21)20(11-13-6-8-14(18)9-7-13)12-16-5-3-4-15(10-19)23-16/h6-9,15-16H,2-5,10-12,19H2,1H3/t15-,16-/m1/s1
InChIKeyAEPLYGSPXKMOHA-HZPDHXFCSA-N
XLogP2.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate?
The IUPAC name of ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate (CID 22884193) is ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate?
The canonical SMILES for ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate is CCOC(=O)N(Cc1ccc(F)cc1)C[C@H]1CCC[C@H](CN)O1.
What is the InChIKey of ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate?
The InChIKey is AEPLYGSPXKMOHA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-2-22-17(21)20(11-13-6-8-14(18)9-7-13)12-16-5-3-4-15(10-19)23-16/h6-9,15-16H,2-5,10-12,19H2,1H3/t15-,16-/m1/s1.
What are the key properties of ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate?
ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[(2R,6R)-6-(aminomethyl)oxan-2-yl]methyl]-N-[(4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 22884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).