1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea

C12H22N2O3 — CID 154752872

IUPAC1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1(C2CC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-16-9-6-13-11(15)14-12(10-2-3-10)4-7-17-8-5-12/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeySVMIUUIRQQDZIW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds5

About 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea

1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea (PubChem CID 154752872) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea
PubChem CID154752872
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC1(C2CC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c1-16-9-6-13-11(15)14-12(10-2-3-10)4-7-17-8-5-12/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeySVMIUUIRQQDZIW-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea (CID 154752872) is 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea is COCCNC(=O)NC1(C2CC2)CCOCC1.
What is the InChIKey of 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea?
The InChIKey is SVMIUUIRQQDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-9-6-13-11(15)14-12(10-2-3-10)4-7-17-8-5-12/h10H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea?
1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea has a molecular weight of 242.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxan-4-yl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 154752872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).