1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

C19H26N2O — CID 124739142

IUPAC1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESO=C(NCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C19H26N2O/c22-19(20-10-9-13-5-2-1-3-6-13)21-18-12-14-11-17(18)16-8-4-7-15(14)16/h1-3,5-6,14-18H,4,7-12H2,(H2,20,21,22)/t14-,15-,16+,17+,18-/m1/s1
InChIKeySCMHESUUMBRFNW-DFBDCSAJSA-N
MW298.43 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea

1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (PubChem CID 124739142) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
PubChem CID124739142
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
SMILESO=C(NCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C19H26N2O/c22-19(20-10-9-13-5-2-1-3-6-13)21-18-12-14-11-17(18)16-8-4-7-15(14)16/h1-3,5-6,14-18H,4,7-12H2,(H2,20,21,22)/t14-,15-,16+,17+,18-/m1/s1
InChIKeySCMHESUUMBRFNW-DFBDCSAJSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124739144
1-(3-hydroxycyclohexyl)-3-(2-phenylethyl)urea
CID 71786227
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124741256
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
3-methyl-N-[2-(2-phenylethylcarbamoylamino)cyclohexyl]but-2-enamide
CID 23850327
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea
CID 124839022
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 78880682
N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 95339721
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786369
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea (CID 124739142) is 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is O=C(NCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
The InChIKey is SCMHESUUMBRFNW-DFBDCSAJSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-10-9-13-5-2-1-3-6-13)21-18-12-14-11-17(18)16-8-4-7-15(14)16/h1-3,5-6,14-18H,4,7-12H2,(H2,20,21,22)/t14-,15-,16+,17+,18-/m1/s1.
What are the key properties of 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea?
1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea has a molecular weight of 298.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]urea is sourced from PubChem (CID 124739142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).