4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide

C20H32N2O3 — CID 47088134

IUPAC4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)c1cc(CN2CCOC(C(N)=O)C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H32N2O3/c1-19(2,3)14-9-13(17(23)15(10-14)20(4,5)6)11-22-7-8-25-16(12-22)18(21)24/h9-10,16,23H,7-8,11-12H2,1-6H3,(H2,21,24)
InChIKeyNTBYYNGMOIRFMR-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.67
Rot. Bonds3

About 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide

4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide (PubChem CID 47088134) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide
PubChem CID47088134
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)(C)c1cc(CN2CCOC(C(N)=O)C2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H32N2O3/c1-19(2,3)14-9-13(17(23)15(10-14)20(4,5)6)11-22-7-8-25-16(12-22)18(21)24/h9-10,16,23H,7-8,11-12H2,1-6H3,(H2,21,24)
InChIKeyNTBYYNGMOIRFMR-UHFFFAOYSA-N
XLogP2.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-3-[(2-methylmorpholin-4-yl)methyl]benzene-1,2-diol
CID 17392579
ethyl (3R)-1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 1376196
1-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-1,4-diazepan-5-one
CID 71942791
(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 99930629
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301
2,4-ditert-butyl-6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 40501486
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
(2R)-4-[(6-methoxy-3-pyridinyl)methyl]morpholine-2-carboxamide
CID 97045083
4-[(2,5-dimethylphenyl)methyl]morpholine-2-carbothioamide
CID 79681213
4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
CID 140671769
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide (CID 47088134) is 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide is CC(C)(C)c1cc(CN2CCOC(C(N)=O)C2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is NTBYYNGMOIRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-19(2,3)14-9-13(17(23)15(10-14)20(4,5)6)11-22-7-8-25-16(12-22)18(21)24/h9-10,16,23H,7-8,11-12H2,1-6H3,(H2,21,24).
What are the key properties of 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide?
4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 47088134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).