(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide

C13H17ClN2O2 — CID 41097571

IUPAC(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-4-11(14)6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyHHRIWYHSXVKMKP-NXEZZACHSA-N
MW268.74 g/mol
LogP2.98
Rot. Bonds1

About (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 41097571) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID41097571
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1
InChIInChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-4-11(14)6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)/t9-,10-/m1/s1
InChIKeyHHRIWYHSXVKMKP-NXEZZACHSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23139916
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 41097571) is (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is HHRIWYHSXVKMKP-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-7-16(8-10(2)18-9)13(17)15-12-5-3-4-11(14)6-12/h3-6,9-10H,7-8H2,1-2H3,(H,15,17)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 41097571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).