1-ethyl-3-(3-hydroxypropyl)urea

C6H14N2O2 — CID 4113675

IUPAC1-ethyl-3-(3-hydroxypropyl)urea
SMILESCCNC(=O)NCCCO
InChIInChI=1S/C6H14N2O2/c1-2-7-6(10)8-4-3-5-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyKGRHIUPOERZWSM-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.31
Rot. Bonds4

About 1-ethyl-3-(3-hydroxypropyl)urea

1-ethyl-3-(3-hydroxypropyl)urea (PubChem CID 4113675) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxypropyl)urea
PubChem CID4113675
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name1-ethyl-3-(3-hydroxypropyl)urea
SMILESCCNC(=O)NCCCO
InChIInChI=1S/C6H14N2O2/c1-2-7-6(10)8-4-3-5-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyKGRHIUPOERZWSM-UHFFFAOYSA-N
XLogP-0.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-ethyl-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-ethyl-3-(3-hydroxypropyl)urea (CID 4113675) is 1-ethyl-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-ethyl-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-ethyl-3-(3-hydroxypropyl)urea is CCNC(=O)NCCCO.
What is the InChIKey of 1-ethyl-3-(3-hydroxypropyl)urea?
The InChIKey is KGRHIUPOERZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-7-6(10)8-4-3-5-9/h9H,2-5H2,1H3,(H2,7,8,10).
What are the key properties of 1-ethyl-3-(3-hydroxypropyl)urea?
1-ethyl-3-(3-hydroxypropyl)urea has a molecular weight of 146.19 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 4113675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).