[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate

C23H29NO2 — CID 57402605

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H29NO2/c1-16(2)21-13-12-17(3)14-22(21)26-23(25)24-20-11-7-10-19(15-20)18-8-5-4-6-9-18/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1
InChIKeyZFCZBWNLYPTKCS-VOQZNFBZSA-N
MW351.49 g/mol
LogP6.36
Rot. Bonds4

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate (PubChem CID 57402605) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate
PubChem CID57402605
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H29NO2/c1-16(2)21-13-12-17(3)14-22(21)26-23(25)24-20-11-7-10-19(15-20)18-8-5-4-6-9-18/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1
InChIKeyZFCZBWNLYPTKCS-VOQZNFBZSA-N
XLogP6.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate (CID 57402605) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate?
The InChIKey is ZFCZBWNLYPTKCS-VOQZNFBZSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)21-13-12-17(3)14-22(21)26-23(25)24-20-11-7-10-19(15-20)18-8-5-4-6-9-18/h4-11,15-17,21-22H,12-14H2,1-3H3,(H,24,25)/t17-,21+,22-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate has a molecular weight of 351.49 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 57402605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).