methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate

C22H46N2O13 — CID 167614936

IUPACmethoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate
SMILESCCCOC.CCOC.COC(=O)COC(C)=O.COC(=O)NCNC(=O)OC.COCCOC(C)=O
InChIInChI=1S/C5H10N2O4.C5H8O4.C5H10O3.C4H10O.C3H8O/c1-10-4(8)6-3-7-5(9)11-2;1-4(6)9-3-5(7)8-2;1-5(6)8-4-3-7-2;1-3-4-5-2;1-3-4-2/h3H2,1-2H3,(H,6,8)(H,7,9);3H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyLPJYCEVHQHGORH-UHFFFAOYSA-N
MW546.61 g/mol
LogP1.27
Rot. Bonds10

About methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate

methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate (PubChem CID 167614936) has the molecular formula C22H46N2O13 and a molecular weight of 546.61 g/mol. Its IUPAC name is methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate.

Molecular Properties

Compound Namemethoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate
PubChem CID167614936
Molecular FormulaC22H46N2O13
Molecular Weight546.61 g/mol
Exact Mass546.30
IUPAC Namemethoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate
SMILESCCCOC.CCOC.COC(=O)COC(C)=O.COC(=O)NCNC(=O)OC.COCCOC(C)=O
InChIInChI=1S/C5H10N2O4.C5H8O4.C5H10O3.C4H10O.C3H8O/c1-10-4(8)6-3-7-5(9)11-2;1-4(6)9-3-5(7)8-2;1-5(6)8-4-3-7-2;1-3-4-5-2;1-3-4-2/h3H2,1-2H3,(H,6,8)(H,7,9);3H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyLPJYCEVHQHGORH-UHFFFAOYSA-N
XLogP1.27
TPSA183.25 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.61
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
CID 59464765
1,2-dimethoxyethane;ethyl acetate
CID 87198031
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885
butane;ethyl acetate;ethyl N-methylcarbamate;methoxyethane;methoxymethane;1-methoxypropane;N-methylacetamide;methyl acetate;propan-2-one
CID 161489989
(methoxycarbonylamino)methylcarbamoyloxymethyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 20674168
cyclopropane;2-methoxyethyl acetate
CID 69413766
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
propyl acetate;hydrate
CID 122690555
1-(2-butoxyethoxy)butane;2-methoxyethyl acetate
CID 90456855

Frequently Asked Questions

What is the IUPAC name of methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate?
The IUPAC name of methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate (CID 167614936) is methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate.
What is the SMILES notation for methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate?
The canonical SMILES for methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate is CCCOC.CCOC.COC(=O)COC(C)=O.COC(=O)NCNC(=O)OC.COCCOC(C)=O.
What is the InChIKey of methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate?
The InChIKey is LPJYCEVHQHGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4.C5H8O4.C5H10O3.C4H10O.C3H8O/c1-10-4(8)6-3-7-5(9)11-2;1-4(6)9-3-5(7)8-2;1-5(6)8-4-3-7-2;1-3-4-5-2;1-3-4-2/h3H2,1-2H3,(H,6,8)(H,7,9);3H2,1-2H3;3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate?
methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate has a molecular weight of 546.61 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate is sourced from PubChem (CID 167614936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).