1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea

C13H24N2O3 — CID 151388958

IUPAC1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea
SMILESCC(C)=COCCNC(=O)NCCOC=C(C)C
InChIInChI=1S/C13H24N2O3/c1-11(2)9-17-7-5-14-13(16)15-6-8-18-10-12(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyOUAHRMIQRKZQTF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds8

About 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea

1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea (PubChem CID 151388958) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea
PubChem CID151388958
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea
SMILESCC(C)=COCCNC(=O)NCCOC=C(C)C
InChIInChI=1S/C13H24N2O3/c1-11(2)9-17-7-5-14-13(16)15-6-8-18-10-12(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyOUAHRMIQRKZQTF-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea?
The IUPAC name of 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea (CID 151388958) is 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea.
What is the SMILES notation for 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea?
The canonical SMILES for 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea is CC(C)=COCCNC(=O)NCCOC=C(C)C.
What is the InChIKey of 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea?
The InChIKey is OUAHRMIQRKZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(2)9-17-7-5-14-13(16)15-6-8-18-10-12(3)4/h9-10H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea?
1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea has a molecular weight of 256.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-methylprop-1-enoxy)ethyl]urea is sourced from PubChem (CID 151388958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).