2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide

C16H24N2O2 — CID 110644188

IUPAC2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CC(C)OC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-16(19)18-11-13(2)20-15(12-18)10-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,17,19)
InChIKeyFVXFYKJXDDBWQU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.44
Rot. Bonds4

About 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide

2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide (PubChem CID 110644188) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
PubChem CID110644188
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
SMILESCCCNC(=O)N1CC(C)OC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-17-16(19)18-11-13(2)20-15(12-18)10-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,17,19)
InChIKeyFVXFYKJXDDBWQU-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
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
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
(3aS,6aR)-4,6-dioxo-5-(2-phenylethyl)-N-propyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 91916022
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide?
The IUPAC name of 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide (CID 110644188) is 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide is CCCNC(=O)N1CC(C)OC(Cc2ccccc2)C1.
What is the InChIKey of 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide?
The InChIKey is FVXFYKJXDDBWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-17-16(19)18-11-13(2)20-15(12-18)10-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,17,19).
What are the key properties of 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide?
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide is sourced from PubChem (CID 110644188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).