2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate

C20H38N2O10 — CID 58771731

IUPAC2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate
SMILESCOCCOCCOC(=O)NCC(=O)NC1C(O)CC(C)(C(C)C)OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H38N2O10/c1-12(2)20(3)9-13(24)16(18(32-20)17(27)14(25)11-23)22-15(26)10-21-19(28)31-8-7-30-6-5-29-4/h12-14,16-18,23-25,27H,5-11H2,1-4H3,(H,21,28)(H,22,26)/t13?,14-,16?,17-,18?,20?/m1/s1
InChIKeyHQUKRGDQKHNDAI-DLKDFORTSA-N
MW466.53 g/mol
LogP-1.86
Rot. Bonds13

About 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate

2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate (PubChem CID 58771731) has the molecular formula C20H38N2O10 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate
PubChem CID58771731
Molecular FormulaC20H38N2O10
Molecular Weight466.53 g/mol
Exact Mass466.25
IUPAC Name2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate
SMILESCOCCOCCOC(=O)NCC(=O)NC1C(O)CC(C)(C(C)C)OC1[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H38N2O10/c1-12(2)20(3)9-13(24)16(18(32-20)17(27)14(25)11-23)22-15(26)10-21-19(28)31-8-7-30-6-5-29-4/h12-14,16-18,23-25,27H,5-11H2,1-4H3,(H,21,28)(H,22,26)/t13?,14-,16?,17-,18?,20?/m1/s1
InChIKeyHQUKRGDQKHNDAI-DLKDFORTSA-N
XLogP-1.86
TPSA176.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

(2R,4R,5R)-4-hydroxy-2-methoxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 90124691
4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-6-(1,2,3-trihydroxypropyl)-2-(2,2,3-trimethylbutyl)oxane-2-carboxylic acid;methane
CID 159161216
ethyl (4S,5R,6R)-2,4-dihydroxy-5-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 10600971
[5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-(2-methoxyethoxy)acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[2-[2-(2-methoxyethoxy)ethoxycarbonylamino]-3-(2-methoxyethylsulfanyl)propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;[4-hydroxy-5-[[2-[[3-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxycarbonylamino]propanoyl]amino]acetyl]amino]-2-propan-2-yloxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl] formate;methane
CID 161086331
methyl (2S,4S,5R,6R)-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[2-(2-prop-2-ynoxyethoxy)ethylsulfanyl]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 164574926
2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-5-[[2-[2,6-bis[2-(2-methoxyethoxy)ethoxycarbonylamino]hexanoylamino]acetyl]amino]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 59467867
methyl (4S,5R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 138059387
methyl (2S,5R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 6409681
methyl (2S,4S,5S)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 123135732
methyl (2S,4R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 71216033
methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 13151896
(2R,4S,5R)-4-hydroxy-2-methoxy-5-(4-oxopentanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 58718665

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate (CID 58771731) is 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate is COCCOCCOC(=O)NCC(=O)NC1C(O)CC(C)(C(C)C)OC1[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate?
The InChIKey is HQUKRGDQKHNDAI-DLKDFORTSA-N. The full InChI is InChI=1S/C20H38N2O10/c1-12(2)20(3)9-13(24)16(18(32-20)17(27)14(25)11-23)22-15(26)10-21-19(28)31-8-7-30-6-5-29-4/h12-14,16-18,23-25,27H,5-11H2,1-4H3,(H,21,28)(H,22,26)/t13?,14-,16?,17-,18?,20?/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate?
2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 466.53 g/mol, XLogP of -1.86, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[2-[[4-hydroxy-6-methyl-6-propan-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 58771731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).