[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate

C24H34N4O7 — CID 20508702

IUPAC[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cnc(C)c(OCC(O)CNCCOc2ccccc2C)c1COC(=O)NC
InChIInChI=1S/C24H34N4O7/c1-16-7-5-6-8-21(16)32-10-9-27-12-19(29)14-33-22-17(2)28-11-18(13-34-23(30)25-3)20(22)15-35-24(31)26-4/h5-8,11,19,27,29H,9-10,12-15H2,1-4H3,(H,25,30)(H,26,31)
InChIKeyNWZCXHJECHRARH-UHFFFAOYSA-N
MW490.56 g/mol
LogP1.82
Rot. Bonds13

About [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate

[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate (PubChem CID 20508702) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
PubChem CID20508702
Molecular FormulaC24H34N4O7
Molecular Weight490.56 g/mol
Exact Mass490.24
IUPAC Name[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cnc(C)c(OCC(O)CNCCOc2ccccc2C)c1COC(=O)NC
InChIInChI=1S/C24H34N4O7/c1-16-7-5-6-8-21(16)32-10-9-27-12-19(29)14-33-22-17(2)28-11-18(13-34-23(30)25-3)20(22)15-35-24(31)26-4/h5-8,11,19,27,29H,9-10,12-15H2,1-4H3,(H,25,30)(H,26,31)
InChIKeyNWZCXHJECHRARH-UHFFFAOYSA-N
XLogP1.82
TPSA140.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
CID 88737005
1-[[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl]oxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 54039338
1-(2-methylphenoxy)-3-(2-pyrazin-2-yloxyethylamino)propan-2-ol
CID 21333239
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 78974915
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
(Z)-but-2-enedioic acid;1-[2-(2-methoxy-5-methyl-4-methylsulfinylphenoxy)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 70512216

Frequently Asked Questions

What is the IUPAC name of [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The IUPAC name of [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate (CID 20508702) is [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate.
What is the SMILES notation for [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The canonical SMILES for [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate is CNC(=O)OCc1cnc(C)c(OCC(O)CNCCOc2ccccc2C)c1COC(=O)NC.
What is the InChIKey of [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The InChIKey is NWZCXHJECHRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7/c1-16-7-5-6-8-21(16)32-10-9-27-12-19(29)14-33-22-17(2)28-11-18(13-34-23(30)25-3)20(22)15-35-24(31)26-4/h5-8,11,19,27,29H,9-10,12-15H2,1-4H3,(H,25,30)(H,26,31).
What are the key properties of [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate has a molecular weight of 490.56 g/mol, XLogP of 1.82, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate is sourced from PubChem (CID 20508702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).