1-(carbamoylamino)-3-ethylurea

C4H10N4O2 — CID 55206816

IUPAC1-(carbamoylamino)-3-ethylurea
SMILESCCNC(=O)NNC(N)=O
InChIInChI=1S/C4H10N4O2/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyRMBHGXHPBPZOSR-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.11
Rot. Bonds1

About 1-(carbamoylamino)-3-ethylurea

1-(carbamoylamino)-3-ethylurea (PubChem CID 55206816) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-ethylurea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-ethylurea
PubChem CID55206816
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name1-(carbamoylamino)-3-ethylurea
SMILESCCNC(=O)NNC(N)=O
InChIInChI=1S/C4H10N4O2/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyRMBHGXHPBPZOSR-UHFFFAOYSA-N
XLogP-1.11
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.11
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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Related Compounds

1,3-diethylurea;ethane
CID 142885504
1-(2,2-dichloropropanoylamino)-3-ethylurea
CID 130675904
1-ethyl-3-(propan-2-ylamino)urea
CID 54144387
1,3-bis(ethylcarbamoyl)urea
CID 134915369
2-(ethylcarbamoylamino)propanamide
CID 115582785
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
propylaminourea
CID 55291175
carbamothioic S-acid;ethylcarbamothioic S-acid;trihydrate
CID 173162931
1-(carbamoylamino)-3-oxidourea
CID 141040084
1-anilino-3-ethylurea
CID 67472651

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-3-ethylurea?
The IUPAC name of 1-(carbamoylamino)-3-ethylurea (CID 55206816) is 1-(carbamoylamino)-3-ethylurea.
What is the SMILES notation for 1-(carbamoylamino)-3-ethylurea?
The canonical SMILES for 1-(carbamoylamino)-3-ethylurea is CCNC(=O)NNC(N)=O.
What is the InChIKey of 1-(carbamoylamino)-3-ethylurea?
The InChIKey is RMBHGXHPBPZOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-2-6-4(10)8-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10).
What are the key properties of 1-(carbamoylamino)-3-ethylurea?
1-(carbamoylamino)-3-ethylurea has a molecular weight of 146.15 g/mol, XLogP of -1.11, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-ethylurea is sourced from PubChem (CID 55206816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).