tert-butyl 3,3-dibenzylmorpholine-4-carboxylate

C23H29NO3 — CID 70061037

IUPACtert-butyl 3,3-dibenzylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29NO3/c1-22(2,3)27-21(25)24-14-15-26-18-23(24,16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3
InChIKeyPEPVUWCDSJOUHU-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl 3,3-dibenzylmorpholine-4-carboxylate

tert-butyl 3,3-dibenzylmorpholine-4-carboxylate (PubChem CID 70061037) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl 3,3-dibenzylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3-dibenzylmorpholine-4-carboxylate
PubChem CID70061037
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametert-butyl 3,3-dibenzylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H29NO3/c1-22(2,3)27-21(25)24-14-15-26-18-23(24,16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3
InChIKeyPEPVUWCDSJOUHU-UHFFFAOYSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 121226000
2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 22309142
(3S,5S)-5-benzyl-5-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 11152265
tert-butyl (2S,4S)-2-benzyl-2-(hydroxymethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 155391049
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
CID 143735127
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 3-cyclopropyl-3-formylmorpholine-4-carboxylate
CID 155970645
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-dibenzylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 3,3-dibenzylmorpholine-4-carboxylate (CID 70061037) is tert-butyl 3,3-dibenzylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3,3-dibenzylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3,3-dibenzylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl 3,3-dibenzylmorpholine-4-carboxylate?
The InChIKey is PEPVUWCDSJOUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-22(2,3)27-21(25)24-14-15-26-18-23(24,16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3.
What are the key properties of tert-butyl 3,3-dibenzylmorpholine-4-carboxylate?
tert-butyl 3,3-dibenzylmorpholine-4-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-dibenzylmorpholine-4-carboxylate is sourced from PubChem (CID 70061037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).