methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate

C23H27NO4 — CID 100745550

IUPACmethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC
InChIInChI=1S/C23H27NO4/c1-16-7-9-17(10-8-16)23(13-5-4-6-14-23)22(26)24-18-11-12-20(27-2)19(15-18)21(25)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyZRHSDCVFFKHISH-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.63
Rot. Bonds5

About methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate

methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate (PubChem CID 100745550) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
PubChem CID100745550
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namemethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC
InChIInChI=1S/C23H27NO4/c1-16-7-9-17(10-8-16)23(13-5-4-6-14-23)22(26)24-18-11-12-20(27-2)19(15-18)21(25)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26)
InChIKeyZRHSDCVFFKHISH-UHFFFAOYSA-N
XLogP4.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
methyl 2-[(2S)-butan-2-yl]oxy-5-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100720246
methyl 2-ethoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744039
ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100745624
methyl 2-[(2R)-butan-2-yl]oxy-5-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100747453
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
1-(4-methylphenyl)-N-(3-methyl-4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 100672535
methyl 2-ethoxy-5-[[1-(4-nitrophenyl)cyclohexanecarbonyl]amino]benzoate
CID 100744886
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
N-(4-methoxy-3,5-dimethylphenyl)-1-(4-methylphenyl)cyclopentane-1-carboxamide
CID 100662222
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate (CID 100745550) is methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate?
The InChIKey is ZRHSDCVFFKHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-7-9-17(10-8-16)23(13-5-4-6-14-23)22(26)24-18-11-12-20(27-2)19(15-18)21(25)28-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate?
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate has a molecular weight of 381.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 100745550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).