ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate

C23H31NO3 — CID 177141348

IUPACethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCC.CCCc1cccc([C@@H]2C[C@]2(C(=O)OC)c2cc(C)ccc2OC)n1
InChIInChI=1S/C21H25NO3.C2H6/c1-5-7-15-8-6-9-18(22-15)17-13-21(17,20(23)25-4)16-12-14(2)10-11-19(16)24-3;1-2/h6,8-12,17H,5,7,13H2,1-4H3;1-2H3/t17-,21-;/m0./s1
InChIKeyMWONYGAKGJKAAS-PVMVIUQGSA-N
MW369.51 g/mol
LogP4.98
Rot. Bonds6

About ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate

ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 177141348) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID177141348
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nameethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCC.CCCc1cccc([C@@H]2C[C@]2(C(=O)OC)c2cc(C)ccc2OC)n1
InChIInChI=1S/C21H25NO3.C2H6/c1-5-7-15-8-6-9-18(22-15)17-13-21(17,20(23)25-4)16-12-14(2)10-11-19(16)24-3;1-2/h6,8-12,17H,5,7,13H2,1-4H3;1-2H3/t17-,21-;/m0./s1
InChIKeyMWONYGAKGJKAAS-PVMVIUQGSA-N
XLogP4.98
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 1-(2-methoxy-5-methylphenyl)-2-(6-methoxy-2-methyl-3-pyridinyl)cyclopropane-1-carboxylate
CID 170691007
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147
methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 170691014
methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
CID 175762346
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571398
N-(2-methoxy-5-methylphenyl)-1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 20893370

Frequently Asked Questions

What is the IUPAC name of ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate (CID 177141348) is ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate is CC.CCCc1cccc([C@@H]2C[C@]2(C(=O)OC)c2cc(C)ccc2OC)n1.
What is the InChIKey of ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is MWONYGAKGJKAAS-PVMVIUQGSA-N. The full InChI is InChI=1S/C21H25NO3.C2H6/c1-5-7-15-8-6-9-18(22-15)17-13-21(17,20(23)25-4)16-12-14(2)10-11-19(16)24-3;1-2/h6,8-12,17H,5,7,13H2,1-4H3;1-2H3/t17-,21-;/m0./s1.
What are the key properties of ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate?
ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 369.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 177141348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).