1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea

C18H26N2O3 — CID 71938740

IUPAC1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
SMILESCC1CC1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1
InChIInChI=1S/C18H26N2O3/c1-12-10-16(12)17-5-4-15(23-17)11-20(14-2-3-14)18(21)19-13-6-8-22-9-7-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,19,21)
InChIKeyVMWWKMWAOMKKLH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.26
Rot. Bonds5

About 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea

1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea (PubChem CID 71938740) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
PubChem CID71938740
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
SMILESCC1CC1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1
InChIInChI=1S/C18H26N2O3/c1-12-10-16(12)17-5-4-15(23-17)11-20(14-2-3-14)18(21)19-13-6-8-22-9-7-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,19,21)
InChIKeyVMWWKMWAOMKKLH-UHFFFAOYSA-N
XLogP3.26
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea (CID 71938740) is 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea is CC1CC1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea?
The InChIKey is VMWWKMWAOMKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-10-16(12)17-5-4-15(23-17)11-20(14-2-3-14)18(21)19-13-6-8-22-9-7-13/h4-5,12-14,16H,2-3,6-11H2,1H3,(H,19,21).
What are the key properties of 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea?
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea has a molecular weight of 318.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 71938740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).