tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate

C23H34N2O4 — CID 42570281

IUPACtert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24-15-17-9-11-19(12-10-17)21(26)25-13-14-28-20(16-25)18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3,(H,24,27)/t17?,19?,20-/m0/s1
InChIKeyFGBUMEXHLWVKHB-UUKMXZOPSA-N
MW402.54 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate (PubChem CID 42570281) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
PubChem CID42570281
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nametert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24-15-17-9-11-19(12-10-17)21(26)25-13-14-28-20(16-25)18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3,(H,24,27)/t17?,19?,20-/m0/s1
InChIKeyFGBUMEXHLWVKHB-UUKMXZOPSA-N
XLogP3.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate (CID 42570281) is tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1.
What is the InChIKey of tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate?
The InChIKey is FGBUMEXHLWVKHB-UUKMXZOPSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-23(2,3)29-22(27)24-15-17-9-11-19(12-10-17)21(26)25-13-14-28-20(16-25)18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3,(H,24,27)/t17?,19?,20-/m0/s1.
What are the key properties of tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate has a molecular weight of 402.54 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 42570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).