1,3-bis(ethylcarbamoyl)urea

C7H14N4O3 — CID 134915369

IUPAC1,3-bis(ethylcarbamoyl)urea
SMILESCCNC(=O)NC(=O)NC(=O)NCC
InChIInChI=1S/C7H14N4O3/c1-3-8-5(12)10-7(14)11-6(13)9-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13,14)
InChIKeyKACQDJPPIPGFOB-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.26
Rot. Bonds2

About 1,3-bis(ethylcarbamoyl)urea

1,3-bis(ethylcarbamoyl)urea (PubChem CID 134915369) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,3-bis(ethylcarbamoyl)urea.

Molecular Properties

Compound Name1,3-bis(ethylcarbamoyl)urea
PubChem CID134915369
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name1,3-bis(ethylcarbamoyl)urea
SMILESCCNC(=O)NC(=O)NC(=O)NCC
InChIInChI=1S/C7H14N4O3/c1-3-8-5(12)10-7(14)11-6(13)9-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13,14)
InChIKeyKACQDJPPIPGFOB-UHFFFAOYSA-N
XLogP-0.26
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diethylurea;ethane
CID 142885504
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
N-(ethylcarbamoyl)-2-(methylamino)acetamide
CID 130743896
N-(ethylcarbamoyl)-2-fluoroprop-2-enamide
CID 163798427
1-[(E)-but-1-enyl]-3-ethylurea
CID 108910652
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
1-(carbamoylamino)-3-ethylurea
CID 55206816
N-(ethylcarbamoyl)benzamide
CID 23273840
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethylcarbamoyl)urea?
The IUPAC name of 1,3-bis(ethylcarbamoyl)urea (CID 134915369) is 1,3-bis(ethylcarbamoyl)urea.
What is the SMILES notation for 1,3-bis(ethylcarbamoyl)urea?
The canonical SMILES for 1,3-bis(ethylcarbamoyl)urea is CCNC(=O)NC(=O)NC(=O)NCC.
What is the InChIKey of 1,3-bis(ethylcarbamoyl)urea?
The InChIKey is KACQDJPPIPGFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-3-8-5(12)10-7(14)11-6(13)9-4-2/h3-4H2,1-2H3,(H4,8,9,10,11,12,13,14).
What are the key properties of 1,3-bis(ethylcarbamoyl)urea?
1,3-bis(ethylcarbamoyl)urea has a molecular weight of 202.21 g/mol, XLogP of -0.26, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethylcarbamoyl)urea is sourced from PubChem (CID 134915369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).