trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate

C15H18NO4- — CID 6940396

IUPACtrans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C15H19NO4/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/p-1/t10-,11-/m0/s1
InChIKeyXOEANOWTZYEGPB-QWRGUYRKSA-M
MW276.31 g/mol
LogP1.19
Rot. Bonds4

About trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate

trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6940396) has the molecular formula C15H18NO4- and a molecular weight of 276.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6940396
Molecular FormulaC15H18NO4-
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Nametrans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C15H19NO4/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/p-1/t10-,11-/m0/s1
InChIKeyXOEANOWTZYEGPB-QWRGUYRKSA-M
XLogP1.19
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 11846882
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
cis-(1S,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945106
trans-(1R,2R)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6945107
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
2-[[(1R,2S)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6940402
trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6937463
cis-(1R,2S)-2-[(2-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920114
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
1-N-(2-methoxyphenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131530

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate (CID 6940396) is trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate is COc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-].
What is the InChIKey of trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is XOEANOWTZYEGPB-QWRGUYRKSA-M. The full InChI is InChI=1S/C15H19NO4/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)/p-1/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate?
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6940396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).