trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate

C18H18NO3- — CID 6991180

IUPACtrans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H19NO3/c20-17(15-7-3-4-8-16(15)18(21)22)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2,(H,19,20)(H,21,22)/p-1/t15-,16-/m1/s1
InChIKeyHWPAEJWYKJFXBY-HZPDHXFCSA-M
MW296.35 g/mol
LogP2.33
Rot. Bonds3

About trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate

trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 6991180) has the molecular formula C18H18NO3- and a molecular weight of 296.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID6991180
Molecular FormulaC18H18NO3-
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Nametrans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H19NO3/c20-17(15-7-3-4-8-16(15)18(21)22)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2,(H,19,20)(H,21,22)/p-1/t15-,16-/m1/s1
InChIKeyHWPAEJWYKJFXBY-HZPDHXFCSA-M
XLogP2.33
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(4-naphthalen-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6974630
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6592948
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
2-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 55035485
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194
trans-(1S,2S)-2-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6978659
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6926407
cis-(1S,2R)-2-[[4-(carboxylatomethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 7494747
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate (CID 6991180) is trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate is O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is HWPAEJWYKJFXBY-HZPDHXFCSA-M. The full InChI is InChI=1S/C18H19NO3/c20-17(15-7-3-4-8-16(15)18(21)22)19-14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2,(H,19,20)(H,21,22)/p-1/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate?
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 6991180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).