N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide

C15H19N3O2 — CID 47249348

IUPACN-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2cccc(C#N)c2)CC(C)O1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)
InChIKeyDPMCXEXIIVQFDK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.88
Rot. Bonds2

About N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 47249348) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID47249348
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2cccc(C#N)c2)CC(C)O1
InChIInChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19)
InChIKeyDPMCXEXIIVQFDK-UHFFFAOYSA-N
XLogP1.88
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
N-[(3-cyanophenyl)methyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97068980
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 102555839
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 47249348) is N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)NCc2cccc(C#N)c2)CC(C)O1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is DPMCXEXIIVQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-9-18(10-12(2)20-11)15(19)17-8-14-5-3-4-13(6-14)7-16/h3-6,11-12H,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 47249348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).