3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C12H22N8O4 — CID 118202491

IUPAC3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESNC(=O)NNC(=O)N(CCN1CCNC1=O)CCN1CCNC1=O
InChIInChI=1S/C12H22N8O4/c13-9(21)16-17-12(24)20(7-5-18-3-1-14-10(18)22)8-6-19-4-2-15-11(19)23/h1-8H2,(H,14,22)(H,15,23)(H,17,24)(H3,13,16,21)
InChIKeyOEYKBVKXHHCNMK-UHFFFAOYSA-N
MW342.36 g/mol
LogP-2.37
Rot. Bonds6

About 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea

3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 118202491) has the molecular formula C12H22N8O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID118202491
Molecular FormulaC12H22N8O4
Molecular Weight342.36 g/mol
Exact Mass342.18
IUPAC Name3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESNC(=O)NNC(=O)N(CCN1CCNC1=O)CCN1CCNC1=O
InChIInChI=1S/C12H22N8O4/c13-9(21)16-17-12(24)20(7-5-18-3-1-14-10(18)22)8-6-19-4-2-15-11(19)23/h1-8H2,(H,14,22)(H,15,23)(H,17,24)(H3,13,16,21)
InChIKeyOEYKBVKXHHCNMK-UHFFFAOYSA-N
XLogP-2.37
TPSA152.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 118202491) is 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea is NC(=O)NNC(=O)N(CCN1CCNC1=O)CCN1CCNC1=O.
What is the InChIKey of 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is OEYKBVKXHHCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N8O4/c13-9(21)16-17-12(24)20(7-5-18-3-1-14-10(18)22)8-6-19-4-2-15-11(19)23/h1-8H2,(H,14,22)(H,15,23)(H,17,24)(H3,13,16,21).
What are the key properties of 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 342.36 g/mol, XLogP of -2.37, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 118202491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).