[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate

C17H22N2O4 — CID 94815045

IUPAC[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-14-7-2-3-8-15(14)23-16(20)12-5-4-6-13(11-12)19-10-9-18-17(19)21/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyCSKWDCPCFJAKDG-CABCVRRESA-N
MW318.37 g/mol
LogP2.33
Rot. Bonds4

About [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate

[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 94815045) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID94815045
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H22N2O4/c1-22-14-7-2-3-8-15(14)23-16(20)12-5-4-6-13(11-12)19-10-9-18-17(19)21/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyCSKWDCPCFJAKDG-CABCVRRESA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815046
(2-ethylcyclohexyl) 4-(2-oxoimidazolidin-1-yl)benzoate
CID 78831748
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823949
[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94103638
[(1R)-2-oxocyclohexyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8725942
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
CID 96523638
2-[cyclopropyl-[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 122067250
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate (CID 94815045) is [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate is CO[C@@H]1CCCC[C@@H]1OC(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is CSKWDCPCFJAKDG-CABCVRRESA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-14-7-2-3-8-15(14)23-16(20)12-5-4-6-13(11-12)19-10-9-18-17(19)21/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate?
[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 318.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 94815045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).