cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid

C16H21NO4 — CID 175054365

IUPACcyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
SMILESCOc1ccc(C(=O)CN(C(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-14-9-7-12(8-10-14)15(18)11-17(16(19)20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyFTBHMJPXWZWZBZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.19
Rot. Bonds5

About cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid

cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid (PubChem CID 175054365) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Namecyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
PubChem CID175054365
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namecyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
SMILESCOc1ccc(C(=O)CN(C(=O)O)C2CCCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-14-9-7-12(8-10-14)15(18)11-17(16(19)20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20)
InChIKeyFTBHMJPXWZWZBZ-UHFFFAOYSA-N
XLogP3.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569
2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
CID 78324505
3-cyclohexyl-3-fluoro-1-(4-methoxyphenyl)propan-1-one
CID 22934178
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
3-cyclohexyl-3-iodo-1-(4-methoxyphenyl)propan-1-one
CID 22934298
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
3-bromo-3-cyclohexyl-1-(4-methoxyphenyl)propan-1-one
CID 22934209
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid?
The IUPAC name of cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid (CID 175054365) is cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid.
What is the SMILES notation for cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid?
The canonical SMILES for cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid is COc1ccc(C(=O)CN(C(=O)O)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid?
The InChIKey is FTBHMJPXWZWZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-14-9-7-12(8-10-14)15(18)11-17(16(19)20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,19,20).
What are the key properties of cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid?
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid has a molecular weight of 291.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 175054365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).