methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate

C24H29NO4 — CID 118562064

IUPACmethyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCCCC2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C24H29NO4/c1-28-21-8-5-6-18(15-21)14-20-7-3-4-9-22(20)23(26)25-16-17-10-12-19(13-11-17)24(27)29-2/h5-6,8,10-13,15,20,22H,3-4,7,9,14,16H2,1-2H3,(H,25,26)
InChIKeyGOCCSYUBQLCWOQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.15
Rot. Bonds7

About methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate

methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate (PubChem CID 118562064) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
PubChem CID118562064
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namemethyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCCCC2Cc2cccc(OC)c2)cc1
InChIInChI=1S/C24H29NO4/c1-28-21-8-5-6-18(15-21)14-20-7-3-4-9-22(20)23(26)25-16-17-10-12-19(13-11-17)24(27)29-2/h5-6,8,10-13,15,20,22H,3-4,7,9,14,16H2,1-2H3,(H,25,26)
InChIKeyGOCCSYUBQLCWOQ-UHFFFAOYSA-N
XLogP4.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[[2-[(4-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 118562041
methyl 4-[[(2-benzylcyclohexanecarbonyl)amino]methyl]benzoate
CID 118562025
methyl 4-[[[2-[(3,5-dihydroxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate
CID 144974027
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 118562102
4-[[[2-[(3-hydroxy-5-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]methyl]benzoic acid
CID 144974031
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
2-benzyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 161394271
trans-(1R,2R)-1-N-[(3-methoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837082
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277
N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
CID 103798501

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate (CID 118562064) is methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2CCCCC2Cc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate?
The InChIKey is GOCCSYUBQLCWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-28-21-8-5-6-18(15-21)14-20-7-3-4-9-22(20)23(26)25-16-17-10-12-19(13-11-17)24(27)29-2/h5-6,8,10-13,15,20,22H,3-4,7,9,14,16H2,1-2H3,(H,25,26).
What are the key properties of methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate?
methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate has a molecular weight of 395.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-[(3-methoxyphenyl)methyl]cyclohexanecarbonyl]amino]methyl]benzoate is sourced from PubChem (CID 118562064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).