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

C23H34N2O4 — CID 42649996

IUPACtert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCOC(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)
InChIKeyFGBUMEXHLWVKHB-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.92
Rot. Bonds4

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

tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate (PubChem CID 42649996) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate
PubChem CID42649996
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nametert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCOC(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)
InChIKeyFGBUMEXHLWVKHB-UHFFFAOYSA-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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Related Compounds

tert-butyl N-[[4-[(2R)-2-phenylmorpholine-4-carbonyl]cyclohexyl]methyl]carbamate
CID 42570281
tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
CID 164832714
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
CID 134039996
tert-butyl 4-[2-(2-fluorophenyl)morpholine-4-carbonyl]piperidine-1-carboxylate
CID 110609370
3-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]-1,2,3-benzotriazin-4-one
CID 42653631
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
1-(2-methoxyphenyl)-4-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 134040096
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate (CID 42649996) is tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CCOC(c3ccccc3)C2)CC1.
What is the InChIKey of tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate?
The InChIKey is FGBUMEXHLWVKHB-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-[[4-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(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-(2-phenylmorpholine-4-carbonyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 42649996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).