[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate

C20H21NO2 — CID 57399103

IUPAC[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C20H21NO2/c22-20(23-19-12-14-9-10-17(19)11-14)21-18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,13-14,17,19H,9-12H2,(H,21,22)/t14-,17+,19-/m0/s1
InChIKeyWGGPUUKRABHMMR-YJLNNSPDSA-N
MW307.39 g/mol
LogP5.09
Rot. Bonds3

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate (PubChem CID 57399103) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
PubChem CID57399103
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)O[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C20H21NO2/c22-20(23-19-12-14-9-10-17(19)11-14)21-18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,13-14,17,19H,9-12H2,(H,21,22)/t14-,17+,19-/m0/s1
InChIKeyWGGPUUKRABHMMR-YJLNNSPDSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urb602
CID 10979337
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
octahydro-1H-4,7-methanoinden-5-yl phenylcarbamate
CID 2976296
Cyclohexyl carbamate derivative 3
CID 54670072
cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate
CID 53348146
cyclohexyl N-(2-phenylphenyl)carbamate
CID 53348148
Carbanilic acid, (tricyclo(3.2.1.0(sup 2,4)octyl))methyl ester
CID 3056427
2-Methylcyclohexyl N-(M-tolyl)carbamate
CID 4431607
5-phenylpentyl N-(3-phenylphenyl)carbamate
CID 53348144
cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate
CID 53348145
cyclobutyl N-(3-phenylphenyl)carbamate
CID 57392118
cyclooctyl N-(3-phenylphenyl)carbamate
CID 57393886

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate?
The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate (CID 57399103) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate.
What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate?
The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate is O=C(Nc1cccc(-c2ccccc2)c1)O[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate?
The InChIKey is WGGPUUKRABHMMR-YJLNNSPDSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(23-19-12-14-9-10-17(19)11-14)21-18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,13-14,17,19H,9-12H2,(H,21,22)/t14-,17+,19-/m0/s1.
What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate?
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate has a molecular weight of 307.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 57399103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).