[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride

C19H31ClN2O6 — CID 110181138

IUPAC[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
SMILESCOc1cc(C(=O)N2CCOCC2)cc(OC)c1OCC(O)C[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C19H30N2O6.ClH/c1-13(2)20-11-15(22)12-27-18-16(24-3)9-14(10-17(18)25-4)19(23)21-5-7-26-8-6-21;/h9-10,13,15,20,22H,5-8,11-12H2,1-4H3;1H
InChIKeyUWRXKLUWYUKMRC-UHFFFAOYSA-N
MW418.92 g/mol
LogP-3.11
Rot. Bonds9

About [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride

[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride (PubChem CID 110181138) has the molecular formula C19H31ClN2O6 and a molecular weight of 418.92 g/mol. Its IUPAC name is [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride.

Molecular Properties

Compound Name[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
PubChem CID110181138
Molecular FormulaC19H31ClN2O6
Molecular Weight418.92 g/mol
Exact Mass418.19
IUPAC Name[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride
SMILESCOc1cc(C(=O)N2CCOCC2)cc(OC)c1OCC(O)C[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C19H30N2O6.ClH/c1-13(2)20-11-15(22)12-27-18-16(24-3)9-14(10-17(18)25-4)19(23)21-5-7-26-8-6-21;/h9-10,13,15,20,22H,5-8,11-12H2,1-4H3;1H
InChIKeyUWRXKLUWYUKMRC-UHFFFAOYSA-N
XLogP-3.11
TPSA94.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 5-3.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
CID 126375071
N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 175642350
[2,3-diacetyloxy-5-(morpholine-4-carbonyl)phenyl] acetate
CID 12509978
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
[4-(1-aminoethyl)piperidin-1-yl]-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 119518016
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26758161

Frequently Asked Questions

What is the IUPAC name of [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride?
The IUPAC name of [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride (CID 110181138) is [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride.
What is the SMILES notation for [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride?
The canonical SMILES for [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride is COc1cc(C(=O)N2CCOCC2)cc(OC)c1OCC(O)C[NH2+]C(C)C.[Cl-].
What is the InChIKey of [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride?
The InChIKey is UWRXKLUWYUKMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6.ClH/c1-13(2)20-11-15(22)12-27-18-16(24-3)9-14(10-17(18)25-4)19(23)21-5-7-26-8-6-21;/h9-10,13,15,20,22H,5-8,11-12H2,1-4H3;1H.
What are the key properties of [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride?
[3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride has a molecular weight of 418.92 g/mol, XLogP of -3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenoxy]-2-hydroxypropyl]-propan-2-ylazanium chloride is sourced from PubChem (CID 110181138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).