1-ethyl-3-(ethylcarbamoylamino)urea

C6H14N4O2 — CID 4069712

IUPAC1-ethyl-3-(ethylcarbamoylamino)urea
SMILESCCNC(=O)NNC(=O)NCC
InChIInChI=1S/C6H14N4O2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKeyLZPXYVHKMIWJOD-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.46
Rot. Bonds2

About 1-ethyl-3-(ethylcarbamoylamino)urea

1-ethyl-3-(ethylcarbamoylamino)urea (PubChem CID 4069712) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-ethyl-3-(ethylcarbamoylamino)urea.

Molecular Properties

Compound Name1-ethyl-3-(ethylcarbamoylamino)urea
PubChem CID4069712
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name1-ethyl-3-(ethylcarbamoylamino)urea
SMILESCCNC(=O)NNC(=O)NCC
InChIInChI=1S/C6H14N4O2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12)
InChIKeyLZPXYVHKMIWJOD-UHFFFAOYSA-N
XLogP-0.46
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(ethylcarbamoylamino)urea?
The IUPAC name of 1-ethyl-3-(ethylcarbamoylamino)urea (CID 4069712) is 1-ethyl-3-(ethylcarbamoylamino)urea.
What is the SMILES notation for 1-ethyl-3-(ethylcarbamoylamino)urea?
The canonical SMILES for 1-ethyl-3-(ethylcarbamoylamino)urea is CCNC(=O)NNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-(ethylcarbamoylamino)urea?
The InChIKey is LZPXYVHKMIWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2/c1-3-7-5(11)9-10-6(12)8-4-2/h3-4H2,1-2H3,(H2,7,9,11)(H2,8,10,12).
What are the key properties of 1-ethyl-3-(ethylcarbamoylamino)urea?
1-ethyl-3-(ethylcarbamoylamino)urea has a molecular weight of 174.20 g/mol, XLogP of -0.46, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylcarbamoylamino)urea is sourced from PubChem (CID 4069712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).