1,1,3,3-tetrakis(2-methoxyethyl)urea

C13H28N2O5 — CID 87337532

IUPAC1,1,3,3-tetrakis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N(CCOC)CCOC
InChIInChI=1S/C13H28N2O5/c1-17-9-5-14(6-10-18-2)13(16)15(7-11-19-3)8-12-20-4/h5-12H2,1-4H3
InChIKeyXSRMYUXTTOSUCB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.30
Rot. Bonds12

About 1,1,3,3-tetrakis(2-methoxyethyl)urea

1,1,3,3-tetrakis(2-methoxyethyl)urea (PubChem CID 87337532) has the molecular formula C13H28N2O5 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(2-methoxyethyl)urea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(2-methoxyethyl)urea
PubChem CID87337532
Molecular FormulaC13H28N2O5
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name1,1,3,3-tetrakis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)N(CCOC)CCOC
InChIInChI=1S/C13H28N2O5/c1-17-9-5-14(6-10-18-2)13(16)15(7-11-19-3)8-12-20-4/h5-12H2,1-4H3
InChIKeyXSRMYUXTTOSUCB-UHFFFAOYSA-N
XLogP0.30
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
4,6-Dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one
CID 545836
3,12-Dimethyl-6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dione
CID 3619949
N,N-diethylmorpholine-4-carboxamide
CID 669641
6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dione, 3,9-dimethyl-
CID 544917
4,6,9,11-Tetramethyl-1-oxa-4,6,9,11-tetraazacyclotrideca-5,10-dione
CID 545984
4,6,12,14-Tetramethyl-1,9-dioxa-4,6,12,14-tetraazahexadecane-5,13-dione
CID 546381
4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
CID 568335
4,6-Dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
CID 568336
Urea, tetrakis(2-hydroxyethyl)-
CID 11536002
1,1-Bis(2-methoxyethyl)urea
CID 17793661
1,1,3-Tris(2-hydroxyethyl)-3-methylurea
CID 19812754

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(2-methoxyethyl)urea?
The IUPAC name of 1,1,3,3-tetrakis(2-methoxyethyl)urea (CID 87337532) is 1,1,3,3-tetrakis(2-methoxyethyl)urea.
What is the SMILES notation for 1,1,3,3-tetrakis(2-methoxyethyl)urea?
The canonical SMILES for 1,1,3,3-tetrakis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)N(CCOC)CCOC.
What is the InChIKey of 1,1,3,3-tetrakis(2-methoxyethyl)urea?
The InChIKey is XSRMYUXTTOSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5/c1-17-9-5-14(6-10-18-2)13(16)15(7-11-19-3)8-12-20-4/h5-12H2,1-4H3.
What are the key properties of 1,1,3,3-tetrakis(2-methoxyethyl)urea?
1,1,3,3-tetrakis(2-methoxyethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 0.30, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrakis(2-methoxyethyl)urea is sourced from PubChem (CID 87337532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).