(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate

C17H25NO5 — CID 101146486

IUPAC(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
SMILESCC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1
InChIInChI=1S/C17H25NO5/c1-5-13(18-6-8-22-9-7-18)17(19)23-16-14(20-3)10-12(2)11-15(16)21-4/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyZSNAKILYSGAMRM-CYBMUJFWSA-N
MW323.39 g/mol
LogP2.03
Rot. Bonds6

About (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate

(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate (PubChem CID 101146486) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
PubChem CID101146486
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
SMILESCC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1
InChIInChI=1S/C17H25NO5/c1-5-13(18-6-8-22-9-7-18)17(19)23-16-14(20-3)10-12(2)11-15(16)21-4/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyZSNAKILYSGAMRM-CYBMUJFWSA-N
XLogP2.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
CID 90744198
(2,6-dimethoxy-4-methylphenyl) 2-(3,6-dihydro-2H-pyridin-1-yl)butanoate
CID 11726931
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744
(2S)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
CID 90781892
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
CID 25233392
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 139919274
(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
CID 97208900
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate (CID 101146486) is (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate is CC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate?
The InChIKey is ZSNAKILYSGAMRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO5/c1-5-13(18-6-8-22-9-7-18)17(19)23-16-14(20-3)10-12(2)11-15(16)21-4/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate?
(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate has a molecular weight of 323.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate is sourced from PubChem (CID 101146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).