methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

C17H31NO7 — CID 11462575

IUPACmethyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC
InChIInChI=1S/C17H31NO7/c1-8-10-18(11-9-2)14(19)12-13(15(20)21-5)25-17(4,23-7)16(3,22-6)24-12/h12-13H,8-11H2,1-7H3/t12-,13-,16-,17-/m1/s1
InChIKeyZEBXIHHUOPORKY-BQGCOEIASA-N
MW361.44 g/mol
LogP1.32
Rot. Bonds8

About methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate

methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (PubChem CID 11462575) has the molecular formula C17H31NO7 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
PubChem CID11462575
Molecular FormulaC17H31NO7
Molecular Weight361.44 g/mol
Exact Mass361.21
IUPAC Namemethyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC
InChIInChI=1S/C17H31NO7/c1-8-10-18(11-9-2)14(19)12-13(15(20)21-5)25-17(4,23-7)16(3,22-6)24-12/h12-13H,8-11H2,1-7H3/t12-,13-,16-,17-/m1/s1
InChIKeyZEBXIHHUOPORKY-BQGCOEIASA-N
XLogP1.32
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate with MolForge

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Related Compounds

methyl (2R,3S,5R,6R)-3-tert-butylsulfanylcarbonyl-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 11792150
dimethyl 7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane-2,3-dicarboxylate
CID 91325032
methyl (4R,5R)-5-[benzyl(2,2-dimethoxyethyl)carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11794218
methyl 5-(2-hydroxyacetyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 76718826
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
N-(2-aminoethyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 107000169
methyl 3-[2-(dimethylamino)ethyl]-3-methyloxirane-2-carboxylate
CID 165447672
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
(1R,2S,3R,4R)-2-N,2-N,3-N,3-N-tetrapropylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532727
methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate
CID 46184063
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The IUPAC name of methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate (CID 11462575) is methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is CCCN(CCC)C(=O)[C@@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
The InChIKey is ZEBXIHHUOPORKY-BQGCOEIASA-N. The full InChI is InChI=1S/C17H31NO7/c1-8-10-18(11-9-2)14(19)12-13(15(20)21-5)25-17(4,23-7)16(3,22-6)24-12/h12-13H,8-11H2,1-7H3/t12-,13-,16-,17-/m1/s1.
What are the key properties of methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate?
methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate is sourced from PubChem (CID 11462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).