1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea

C8H18N2O3 — CID 23563342

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOCCO
InChIInChI=1S/C8H18N2O3/c1-2-3-9-8(12)10-4-6-13-7-5-11/h11H,2-7H2,1H3,(H2,9,10,12)
InChIKeyZLZSBHKXMBFFAK-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.30
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea

1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea (PubChem CID 23563342) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea
PubChem CID23563342
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCOCCO
InChIInChI=1S/C8H18N2O3/c1-2-3-9-8(12)10-4-6-13-7-5-11/h11H,2-7H2,1H3,(H2,9,10,12)
InChIKeyZLZSBHKXMBFFAK-UHFFFAOYSA-N
XLogP-0.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea (CID 23563342) is 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea is CCCNC(=O)NCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea?
The InChIKey is ZLZSBHKXMBFFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-2-3-9-8(12)10-4-6-13-7-5-11/h11H,2-7H2,1H3,(H2,9,10,12).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea?
1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea has a molecular weight of 190.24 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-propylurea is sourced from PubChem (CID 23563342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).