4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid

C18H27NO3 — CID 122032281

IUPAC4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CC(C)CNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H27NO3/c1-13(11-14-3-9-17(22-2)10-4-14)12-19-16-7-5-15(6-8-16)18(20)21/h3-4,9-10,13,15-16,19H,5-8,11-12H2,1-2H3,(H,20,21)
InChIKeyHMCHSRSOVZXGEX-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.11
Rot. Bonds7

About 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122032281) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122032281
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CC(C)CNC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H27NO3/c1-13(11-14-3-9-17(22-2)10-4-14)12-19-16-7-5-15(6-8-16)18(20)21/h3-4,9-10,13,15-16,19H,5-8,11-12H2,1-2H3,(H,20,21)
InChIKeyHMCHSRSOVZXGEX-UHFFFAOYSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60810220
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
4-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808728
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
N-[3-(2,4-dimethoxyphenyl)-2-methylpropyl]cyclopropanamine
CID 64665840
N-[3-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 120705474
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
4-[1-[4-(2-methylbutyl)phenoxy]ethenyl]cyclohexane-1-carboxylic acid
CID 143474728
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid (CID 122032281) is 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid is COc1ccc(CC(C)CNC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HMCHSRSOVZXGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(11-14-3-9-17(22-2)10-4-14)12-19-16-7-5-15(6-8-16)18(20)21/h3-4,9-10,13,15-16,19H,5-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122032281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).