N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide

C13H18N2O4 — CID 108895345

IUPACN-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(O)cc(O)c2)CC(C)O1
InChIInChI=1S/C13H18N2O4/c1-8-6-15(7-9(2)19-8)13(18)14-10-3-11(16)5-12(17)4-10/h3-5,8-9,16-17H,6-7H2,1-2H3,(H,14,18)
InChIKeyFXSAZQCWVFLHEK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.74
Rot. Bonds1

About N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide

N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 108895345) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID108895345
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cc(O)cc(O)c2)CC(C)O1
InChIInChI=1S/C13H18N2O4/c1-8-6-15(7-9(2)19-8)13(18)14-10-3-11(16)5-12(17)4-10/h3-5,8-9,16-17H,6-7H2,1-2H3,(H,14,18)
InChIKeyFXSAZQCWVFLHEK-UHFFFAOYSA-N
XLogP1.74
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 108895345) is N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2cc(O)cc(O)c2)CC(C)O1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is FXSAZQCWVFLHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-6-15(7-9(2)19-8)13(18)14-10-3-11(16)5-12(17)4-10/h3-5,8-9,16-17H,6-7H2,1-2H3,(H,14,18).
What are the key properties of N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide?
N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 108895345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).