1-ethyl-3-(propanoylamino)urea

C6H13N3O2 — CID 14366069

IUPAC1-ethyl-3-(propanoylamino)urea
SMILESCCNC(=O)NNC(=O)CC
InChIInChI=1S/C6H13N3O2/c1-3-5(10)8-9-6(11)7-4-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyDPXHQWSARHRDBP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.25
Rot. Bonds2

About 1-ethyl-3-(propanoylamino)urea

1-ethyl-3-(propanoylamino)urea (PubChem CID 14366069) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-ethyl-3-(propanoylamino)urea.

Molecular Properties

Compound Name1-ethyl-3-(propanoylamino)urea
PubChem CID14366069
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-ethyl-3-(propanoylamino)urea
SMILESCCNC(=O)NNC(=O)CC
InChIInChI=1S/C6H13N3O2/c1-3-5(10)8-9-6(11)7-4-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyDPXHQWSARHRDBP-UHFFFAOYSA-N
XLogP-0.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
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-(propanoylamino)urea?
The IUPAC name of 1-ethyl-3-(propanoylamino)urea (CID 14366069) is 1-ethyl-3-(propanoylamino)urea.
What is the SMILES notation for 1-ethyl-3-(propanoylamino)urea?
The canonical SMILES for 1-ethyl-3-(propanoylamino)urea is CCNC(=O)NNC(=O)CC.
What is the InChIKey of 1-ethyl-3-(propanoylamino)urea?
The InChIKey is DPXHQWSARHRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-5(10)8-9-6(11)7-4-2/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11).
What are the key properties of 1-ethyl-3-(propanoylamino)urea?
1-ethyl-3-(propanoylamino)urea has a molecular weight of 159.19 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(propanoylamino)urea is sourced from PubChem (CID 14366069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).