cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium

C16H24NO3+ — CID 7175810

IUPACcyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
SMILESCOC(=O)c1ccc(OC)c(C[NH2+]C2CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-19-15-9-8-12(16(18)20-2)10-13(15)11-17-14-6-4-3-5-7-14/h8-10,14,17H,3-7,11H2,1-2H3/p+1
InChIKeyRASKANXPDRQCSG-UHFFFAOYSA-O
MW278.37 g/mol
LogP1.88
Rot. Bonds5

About cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium

cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium (PubChem CID 7175810) has the molecular formula C16H24NO3+ and a molecular weight of 278.37 g/mol. Its IUPAC name is cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
PubChem CID7175810
Molecular FormulaC16H24NO3+
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Namecyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
SMILESCOC(=O)c1ccc(OC)c(C[NH2+]C2CCCCC2)c1
InChIInChI=1S/C16H23NO3/c1-19-15-9-8-12(16(18)20-2)10-13(15)11-17-14-6-4-3-5-7-14/h8-10,14,17H,3-7,11H2,1-2H3/p+1
InChIKeyRASKANXPDRQCSG-UHFFFAOYSA-O
XLogP1.88
TPSA52.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(cyclohexylamino)methyl]-4-methoxybenzoate;hydrochloride
CID 90484155
methyl 3-[[cyclohexyl(methylsulfonyl)amino]methyl]-4-methoxybenzoate
CID 19615891
2-[4-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19502459
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
CID 6941897
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
CID 8638620
1-[2-[cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502858
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-cycloheptylazanium
CID 2368083
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
methyl 4-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 11923909

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium?
The IUPAC name of cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium (CID 7175810) is cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium.
What is the SMILES notation for cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium?
The canonical SMILES for cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium is COC(=O)c1ccc(OC)c(C[NH2+]C2CCCCC2)c1.
What is the InChIKey of cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium?
The InChIKey is RASKANXPDRQCSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23NO3/c1-19-15-9-8-12(16(18)20-2)10-13(15)11-17-14-6-4-3-5-7-14/h8-10,14,17H,3-7,11H2,1-2H3/p+1.
What are the key properties of cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium?
cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium has a molecular weight of 278.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium is sourced from PubChem (CID 7175810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).