(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide

C17H27N3O2 — CID 95280981

IUPAC(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)17(21)18-10-9-15-5-7-16(8-6-15)19(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyKMEXWCJROJMRGL-ZIAGYGMSSA-N
MW305.42 g/mol
LogP2.11
Rot. Bonds4

About (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 95280981) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID95280981
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@@H](C)O1
InChIInChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)17(21)18-10-9-15-5-7-16(8-6-15)19(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyKMEXWCJROJMRGL-ZIAGYGMSSA-N
XLogP2.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108504056
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97190017
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
(2R,6R)-2,6-dimethyl-N-[4-(2-methylsulfanylethyl)phenyl]morpholine-4-carboxamide
CID 95315876
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide (CID 95280981) is (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is KMEXWCJROJMRGL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-11-20(12-14(2)22-13)17(21)18-10-9-15-5-7-16(8-6-15)19(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 95280981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).