carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane

C14H26N6O7 — CID 88692153

IUPACcarbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane
SMILESC1CCOC1.NC(=O)NC(N)=O.O=C(NCC1CO1)NC(=O)NCC1CO1
InChIInChI=1S/C8H13N3O4.C4H8O.C2H5N3O2/c12-7(9-1-5-3-14-5)11-8(13)10-2-6-4-15-6;1-2-4-5-3-1;3-1(6)5-2(4)7/h5-6H,1-4H2,(H3,9,10,11,12,13);1-4H2;(H5,3,4,5,6,7)
InChIKeyBMZLYJSVLFTEPC-UHFFFAOYSA-N
MW390.40 g/mol
LogP-1.68
Rot. Bonds4

About carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane

carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane (PubChem CID 88692153) has the molecular formula C14H26N6O7 and a molecular weight of 390.40 g/mol. Its IUPAC name is carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane.

Molecular Properties

Compound Namecarbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane
PubChem CID88692153
Molecular FormulaC14H26N6O7
Molecular Weight390.40 g/mol
Exact Mass390.19
IUPAC Namecarbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane
SMILESC1CCOC1.NC(=O)NC(N)=O.O=C(NCC1CO1)NC(=O)NCC1CO1
InChIInChI=1S/C8H13N3O4.C4H8O.C2H5N3O2/c12-7(9-1-5-3-14-5)11-8(13)10-2-6-4-15-6;1-2-4-5-3-1;3-1(6)5-2(4)7/h5-6H,1-4H2,(H3,9,10,11,12,13);1-4H2;(H5,3,4,5,6,7)
InChIKeyBMZLYJSVLFTEPC-UHFFFAOYSA-N
XLogP-1.68
TPSA202.73 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 5-1.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,3-Bis(oxiran-2-ylmethyl)-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 88324956
3-(oxiran-2-ylmethyl)-1-[[(2S)-oxiran-2-yl]methyl]-1-(oxiran-2-ylmethylcarbamoyl)urea
CID 89020626
1-Methyl-1,3-bis(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 117749983
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]formamide
CID 124007174
1-(Butylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 138717456
1-(Ethylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 144002945
N-[butyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 164762981
N-[methyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 164762984
N-(oxiran-2-ylmethyl)-N-[oxiran-2-ylmethylcarbamoyl(propyl)carbamoyl]formamide
CID 176793008
N-[methoxymethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 176793010
N-[ethyl(oxiran-2-ylmethylcarbamoyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 176793012
1-(Oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea
CID 88692154

Frequently Asked Questions

What is the IUPAC name of carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane?
The IUPAC name of carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane (CID 88692153) is carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane.
What is the SMILES notation for carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane?
The canonical SMILES for carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane is C1CCOC1.NC(=O)NC(N)=O.O=C(NCC1CO1)NC(=O)NCC1CO1.
What is the InChIKey of carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane?
The InChIKey is BMZLYJSVLFTEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4.C4H8O.C2H5N3O2/c12-7(9-1-5-3-14-5)11-8(13)10-2-6-4-15-6;1-2-4-5-3-1;3-1(6)5-2(4)7/h5-6H,1-4H2,(H3,9,10,11,12,13);1-4H2;(H5,3,4,5,6,7).
What are the key properties of carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane?
carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane has a molecular weight of 390.40 g/mol, XLogP of -1.68, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;1-(oxiran-2-ylmethyl)-3-(oxiran-2-ylmethylcarbamoyl)urea;oxolane is sourced from PubChem (CID 88692153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).