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

C19H29NO6 — CID 90744198

IUPAC(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
SMILESCCOCCC(C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1
InChIInChI=1S/C19H29NO6/c1-5-24-9-6-15(20-7-10-25-11-8-20)19(21)26-18-16(22-3)12-14(2)13-17(18)23-4/h12-13,15H,5-11H2,1-4H3
InChIKeyITUWYPJOXSDWEX-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.05
Rot. Bonds9

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

(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate (PubChem CID 90744198) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate.

Molecular Properties

Compound Name(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
PubChem CID90744198
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate
SMILESCCOCCC(C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1
InChIInChI=1S/C19H29NO6/c1-5-24-9-6-15(20-7-10-25-11-8-20)19(21)26-18-16(22-3)12-14(2)13-17(18)23-4/h12-13,15H,5-11H2,1-4H3
InChIKeyITUWYPJOXSDWEX-UHFFFAOYSA-N
XLogP2.05
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxy-4-methylphenyl) (2R)-2-morpholin-4-ylbutanoate
CID 101146486
(2,6-dimethoxy-4-methylphenyl) 2-(3,6-dihydro-2H-pyridin-1-yl)butanoate
CID 11726931
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-ethoxyethyl)amino]-4-methoxybutanoate
CID 91533219
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
(2S)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
4-(2,6-dimethoxyphenyl)-4-ethoxy-2-morpholin-4-ylbutanoic acid
CID 90781892
(2,6-dimethoxy-4-methylphenyl) 2-bromo-3-methoxypropanoate
CID 91079302
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
(2,6-dimethoxy-4-methylphenyl) 2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 139919274
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate?
The IUPAC name of (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate (CID 90744198) is (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate.
What is the SMILES notation for (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate?
The canonical SMILES for (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate is CCOCCC(C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1.
What is the InChIKey of (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate?
The InChIKey is ITUWYPJOXSDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO6/c1-5-24-9-6-15(20-7-10-25-11-8-20)19(21)26-18-16(22-3)12-14(2)13-17(18)23-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate?
(2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate has a molecular weight of 367.44 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-4-methylphenyl) 4-ethoxy-2-morpholin-4-ylbutanoate is sourced from PubChem (CID 90744198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).