ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate

C19H20N2O3 — CID 10087621

IUPACethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate
SMILESCCOC(=O)N(N=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)21(20-23)18-16(14-7-5-4-6-8-14)17(18)15-11-9-13(2)10-12-15/h4-12,16-18H,3H2,1-2H3/t16-,17-,18?/m0/s1
InChIKeyAELUOWPMDJRYRG-UBFHEZILSA-N
MW324.38 g/mol
LogP4.38
Rot. Bonds5

About ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate

ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate (PubChem CID 10087621) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate.

Molecular Properties

Compound Nameethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate
PubChem CID10087621
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nameethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate
SMILESCCOC(=O)N(N=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C19H20N2O3/c1-3-24-19(22)21(20-23)18-16(14-7-5-4-6-8-14)17(18)15-11-9-13(2)10-12-15/h4-12,16-18H,3H2,1-2H3/t16-,17-,18?/m0/s1
InChIKeyAELUOWPMDJRYRG-UBFHEZILSA-N
XLogP4.38
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate?
The IUPAC name of ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate (CID 10087621) is ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate.
What is the SMILES notation for ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate?
The canonical SMILES for ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate is CCOC(=O)N(N=O)C1[C@@H](c2ccccc2)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate?
The InChIKey is AELUOWPMDJRYRG-UBFHEZILSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-24-19(22)21(20-23)18-16(14-7-5-4-6-8-14)17(18)15-11-9-13(2)10-12-15/h4-12,16-18H,3H2,1-2H3/t16-,17-,18?/m0/s1.
What are the key properties of ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate?
ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate has a molecular weight of 324.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R,3R)-2-(4-methylphenyl)-3-phenylcyclopropyl]-N-nitrosocarbamate is sourced from PubChem (CID 10087621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).