1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea

C16H24N2O2 — CID 139010942

IUPAC1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-11-13(7-8-20-11)10-17-16(19)18-15-9-14(15)12-5-3-2-4-6-12/h7-8,12,14-15H,2-6,9-10H2,1H3,(H2,17,18,19)/t14-,15+/m0/s1
InChIKeyHKZHYXXEWUPKQK-LSDHHAIUSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds4

About 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea

1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 139010942) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea
PubChem CID139010942
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-11-13(7-8-20-11)10-17-16(19)18-15-9-14(15)12-5-3-2-4-6-12/h7-8,12,14-15H,2-6,9-10H2,1H3,(H2,17,18,19)/t14-,15+/m0/s1
InChIKeyHKZHYXXEWUPKQK-LSDHHAIUSA-N
XLogP3.36
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea (CID 139010942) is 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is HKZHYXXEWUPKQK-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-13(7-8-20-11)10-17-16(19)18-15-9-14(15)12-5-3-2-4-6-12/h7-8,12,14-15H,2-6,9-10H2,1H3,(H2,17,18,19)/t14-,15+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea?
1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclohexylcyclopropyl]-3-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 139010942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).