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

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Related Compounds

1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
CID 55809322
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94181824
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94182837
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94181903
(2R)-N-cyclopropyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 124744236
(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352107
N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 99577588
1-cyclopropyl-3-(3-ethylsulfonylphenyl)-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 86973127
1-cyclopropyl-3-[1-(2,4-difluorophenyl)ethyl]-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]urea
CID 55766886
1-cyclopropyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94120163
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119972

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).