methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate

C24H31NO3 — CID 19956377

IUPACmethyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate
SMILESCOC(=O)CNC1(c2ccccc2)CCCCC1OCc1cc(C)cc(C)c1
InChIInChI=1S/C24H31NO3/c1-18-13-19(2)15-20(14-18)17-28-22-11-7-8-12-24(22,25-16-23(26)27-3)21-9-5-4-6-10-21/h4-6,9-10,13-15,22,25H,7-8,11-12,16-17H2,1-3H3
InChIKeyDAKORCFKYOOHPO-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.42
Rot. Bonds7

About methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate

methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate (PubChem CID 19956377) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate
PubChem CID19956377
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Namemethyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate
SMILESCOC(=O)CNC1(c2ccccc2)CCCCC1OCc1cc(C)cc(C)c1
InChIInChI=1S/C24H31NO3/c1-18-13-19(2)15-20(14-18)17-28-22-11-7-8-12-24(22,25-16-23(26)27-3)21-9-5-4-6-10-21/h4-6,9-10,13-15,22,25H,7-8,11-12,16-17H2,1-3H3
InChIKeyDAKORCFKYOOHPO-UHFFFAOYSA-N
XLogP4.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate with MolForge

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Related Compounds

(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
CID 44331715
N-benzyl-1-[(2R,6S)-6-ethyl-6-phenyl-1,4-dioxan-2-yl]methanamine
CID 122195258
N-benzyl-1-[(2S,6S)-6-ethyl-6-phenyl-1,4-dioxan-2-yl]methanamine
CID 122195259
(5R,6S)-5.6-Diphenyl-2-morpholinone
CID 11322747
Benzyl (2S)-2-(dibenzylamino)propanoate
CID 10904467
2-[[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylcyclohexyl]amino]acetamide
CID 44211707
2-[(3,5-dimethylphenyl)methoxy]-N,N-dimethyl-1-phenylcyclohexan-1-amine
CID 19956376
2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexan-1-amine
CID 21202079
2-[[2-[(3,5-Dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetamide
CID 44211706
(5S,6R)-5,6-diphenyl-2-morpholinone
CID 10354905
benzyl (2S)-3-hydroxy-2-(tritylamino)propanoate
CID 13191984

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate (CID 19956377) is methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate is COC(=O)CNC1(c2ccccc2)CCCCC1OCc1cc(C)cc(C)c1.
What is the InChIKey of methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate?
The InChIKey is DAKORCFKYOOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-18-13-19(2)15-20(14-18)17-28-22-11-7-8-12-24(22,25-16-23(26)27-3)21-9-5-4-6-10-21/h4-6,9-10,13-15,22,25H,7-8,11-12,16-17H2,1-3H3.
What are the key properties of methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate?
methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate has a molecular weight of 381.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3,5-dimethylphenyl)methoxy]-1-phenylcyclohexyl]amino]acetate is sourced from PubChem (CID 19956377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).