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

C17H36N2O5 — CID 54341985

IUPAC1,1,3,3-tetrakis(2-ethoxyethyl)urea
SMILESCCOCCN(CCOCC)C(=O)N(CCOCC)CCOCC
InChIInChI=1S/C17H36N2O5/c1-5-21-13-9-18(10-14-22-6-2)17(20)19(11-15-23-7-3)12-16-24-8-4/h5-16H2,1-4H3
InChIKeyTZPNSULBSACWBY-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.86
Rot. Bonds16

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

1,1,3,3-tetrakis(2-ethoxyethyl)urea (PubChem CID 54341985) has the molecular formula C17H36N2O5 and a molecular weight of 348.48 g/mol. Its IUPAC name is 1,1,3,3-tetrakis(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1,1,3,3-tetrakis(2-ethoxyethyl)urea
PubChem CID54341985
Molecular FormulaC17H36N2O5
Molecular Weight348.48 g/mol
Exact Mass348.26
IUPAC Name1,1,3,3-tetrakis(2-ethoxyethyl)urea
SMILESCCOCCN(CCOCC)C(=O)N(CCOCC)CCOCC
InChIInChI=1S/C17H36N2O5/c1-5-21-13-9-18(10-14-22-6-2)17(20)19(11-15-23-7-3)12-16-24-8-4/h5-16H2,1-4H3
InChIKeyTZPNSULBSACWBY-UHFFFAOYSA-N
XLogP1.86
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
CID 63692727
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
N-(2-ethoxyethyl)-N-ethyl-2-(methylamino)acetamide
CID 63691454
4-[bis(2-ethoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82965179
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
3-amino-N,N-bis(2-ethoxyethyl)pentanamide
CID 82966276

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrakis(2-ethoxyethyl)urea?
The IUPAC name of 1,1,3,3-tetrakis(2-ethoxyethyl)urea (CID 54341985) is 1,1,3,3-tetrakis(2-ethoxyethyl)urea.
What is the SMILES notation for 1,1,3,3-tetrakis(2-ethoxyethyl)urea?
The canonical SMILES for 1,1,3,3-tetrakis(2-ethoxyethyl)urea is CCOCCN(CCOCC)C(=O)N(CCOCC)CCOCC.
What is the InChIKey of 1,1,3,3-tetrakis(2-ethoxyethyl)urea?
The InChIKey is TZPNSULBSACWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O5/c1-5-21-13-9-18(10-14-22-6-2)17(20)19(11-15-23-7-3)12-16-24-8-4/h5-16H2,1-4H3.
What are the key properties of 1,1,3,3-tetrakis(2-ethoxyethyl)urea?
1,1,3,3-tetrakis(2-ethoxyethyl)urea has a molecular weight of 348.48 g/mol, XLogP of 1.86, 16 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-ethoxyethyl)urea is sourced from PubChem (CID 54341985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).