1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea

C21H24N2O — CID 10381354

IUPAC1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)N[C@]1(c2ccccc2)CC[C@H]2C[C@H]21)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-15(16-8-4-2-5-9-16)22-20(24)23-21(13-12-17-14-19(17)21)18-10-6-3-7-11-18/h2-11,15,17,19H,12-14H2,1H3,(H2,22,23,24)/t15-,17-,19+,21-/m0/s1
InChIKeyTUMNWRICLMROPS-OQKHSGFDSA-N
MW320.44 g/mol
LogP4.37
Rot. Bonds4

About 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea

1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea (PubChem CID 10381354) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea
PubChem CID10381354
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea
SMILESC[C@H](NC(=O)N[C@]1(c2ccccc2)CC[C@H]2C[C@H]21)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-15(16-8-4-2-5-9-16)22-20(24)23-21(13-12-17-14-19(17)21)18-10-6-3-7-11-18/h2-11,15,17,19H,12-14H2,1H3,(H2,22,23,24)/t15-,17-,19+,21-/m0/s1
InChIKeyTUMNWRICLMROPS-OQKHSGFDSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea with MolForge

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
1-[(1S)-1-phenylethyl]-3-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]urea
CID 44759786
(2S,3R)-3-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 104965687
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea
CID 141030171
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea?
The IUPAC name of 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea (CID 10381354) is 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea?
The canonical SMILES for 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea is C[C@H](NC(=O)N[C@]1(c2ccccc2)CC[C@H]2C[C@H]21)c1ccccc1.
What is the InChIKey of 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea?
The InChIKey is TUMNWRICLMROPS-OQKHSGFDSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15(16-8-4-2-5-9-16)22-20(24)23-21(13-12-17-14-19(17)21)18-10-6-3-7-11-18/h2-11,15,17,19H,12-14H2,1H3,(H2,22,23,24)/t15-,17-,19+,21-/m0/s1.
What are the key properties of 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea?
1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea has a molecular weight of 320.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea is sourced from PubChem (CID 10381354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).