1-[2-(carbamoylamino)propoxy]propan-2-ylurea

C8H18N4O3 — CID 20663364

IUPAC1-[2-(carbamoylamino)propoxy]propan-2-ylurea
SMILESCC(COCC(C)NC(N)=O)NC(N)=O
InChIInChI=1S/C8H18N4O3/c1-5(11-7(9)13)3-15-4-6(2)12-8(10)14/h5-6H,3-4H2,1-2H3,(H3,9,11,13)(H3,10,12,14)
InChIKeyIKTHGOZFQOAKGI-UHFFFAOYSA-N
MW218.26 g/mol
LogP-0.88
Rot. Bonds6

About 1-[2-(carbamoylamino)propoxy]propan-2-ylurea

1-[2-(carbamoylamino)propoxy]propan-2-ylurea (PubChem CID 20663364) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)propoxy]propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(carbamoylamino)propoxy]propan-2-ylurea
PubChem CID20663364
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Name1-[2-(carbamoylamino)propoxy]propan-2-ylurea
SMILESCC(COCC(C)NC(N)=O)NC(N)=O
InChIInChI=1S/C8H18N4O3/c1-5(11-7(9)13)3-15-4-6(2)12-8(10)14/h5-6H,3-4H2,1-2H3,(H3,9,11,13)(H3,10,12,14)
InChIKeyIKTHGOZFQOAKGI-UHFFFAOYSA-N
XLogP-0.88
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)propoxy]propan-2-ylurea?
The IUPAC name of 1-[2-(carbamoylamino)propoxy]propan-2-ylurea (CID 20663364) is 1-[2-(carbamoylamino)propoxy]propan-2-ylurea.
What is the SMILES notation for 1-[2-(carbamoylamino)propoxy]propan-2-ylurea?
The canonical SMILES for 1-[2-(carbamoylamino)propoxy]propan-2-ylurea is CC(COCC(C)NC(N)=O)NC(N)=O.
What is the InChIKey of 1-[2-(carbamoylamino)propoxy]propan-2-ylurea?
The InChIKey is IKTHGOZFQOAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c1-5(11-7(9)13)3-15-4-6(2)12-8(10)14/h5-6H,3-4H2,1-2H3,(H3,9,11,13)(H3,10,12,14).
What are the key properties of 1-[2-(carbamoylamino)propoxy]propan-2-ylurea?
1-[2-(carbamoylamino)propoxy]propan-2-ylurea has a molecular weight of 218.26 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)propoxy]propan-2-ylurea is sourced from PubChem (CID 20663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).