1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea

C14H20N2O2 — CID 94160880

IUPAC1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
SMILESCNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-9-7-12(9)13-6-5-11(18-13)8-16(10-3-4-10)14(17)15-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
InChIKeyCJVZIXUSVMOZNF-CABZTGNLSA-N
MW248.33 g/mol
LogP2.71
Rot. Bonds4

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

1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea (PubChem CID 94160880) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
PubChem CID94160880
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
SMILESCNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-9-7-12(9)13-6-5-11(18-13)8-16(10-3-4-10)14(17)15-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1
InChIKeyCJVZIXUSVMOZNF-CABZTGNLSA-N
XLogP2.71
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea (CID 94160880) is 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea is CNC(=O)N(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
The InChIKey is CJVZIXUSVMOZNF-CABZTGNLSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-12(9)13-6-5-11(18-13)8-16(10-3-4-10)14(17)15-2/h5-6,9-10,12H,3-4,7-8H2,1-2H3,(H,15,17)/t9-,12-/m0/s1.
What are the key properties of 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea?
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea is sourced from PubChem (CID 94160880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).