2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide

C17H26N2O2 — CID 110746739

IUPAC2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CC(Cc2ccccc2)O1
InChIInChI=1S/C17H26N2O2/c1-13-11-19(16(20)18-17(2,3)4)12-15(21-13)10-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,20)
InChIKeyQTPHUXFPNSIFPX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.83
Rot. Bonds2

About 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide

2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide (PubChem CID 110746739) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
PubChem CID110746739
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NC(C)(C)C)CC(Cc2ccccc2)O1
InChIInChI=1S/C17H26N2O2/c1-13-11-19(16(20)18-17(2,3)4)12-15(21-13)10-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,20)
InChIKeyQTPHUXFPNSIFPX-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
1,3-benzodioxol-5-yl-(2-benzyl-6-methylmorpholin-4-yl)methanone
CID 110644171
2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110644164
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
N-tert-butyl-3,5-dimethyl-4-phenylpiperazine-1-carboxamide
CID 110662572
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 120590349
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide (CID 110746739) is 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide is CC1CN(C(=O)NC(C)(C)C)CC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide?
The InChIKey is QTPHUXFPNSIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-11-19(16(20)18-17(2,3)4)12-15(21-13)10-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,20).
What are the key properties of 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide?
2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 110746739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).