4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid

C18H25FN2O4 — CID 122008720

IUPAC4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25FN2O4/c1-11(16(25-2)12-3-7-14(19)8-4-12)20-18(24)21-15-9-5-13(6-10-15)17(22)23/h3-4,7-8,11,13,15-16H,5-6,9-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyAOTLRNYLCLDOKP-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.84
Rot. Bonds6

About 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122008720) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122008720
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Name4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC(c1ccc(F)cc1)C(C)NC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25FN2O4/c1-11(16(25-2)12-3-7-14(19)8-4-12)20-18(24)21-15-9-5-13(6-10-15)17(22)23/h3-4,7-8,11,13,15-16H,5-6,9-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyAOTLRNYLCLDOKP-UHFFFAOYSA-N
XLogP2.84
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122008715
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641102
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]butanoic acid
CID 122008717
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
4-(3-cyclohexylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122005026
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
4-[1-(2-oxo-1H-pyridin-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015410
4-[bis(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674116

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122008720) is 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is COC(c1ccc(F)cc1)C(C)NC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AOTLRNYLCLDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-11(16(25-2)12-3-7-14(19)8-4-12)20-18(24)21-15-9-5-13(6-10-15)17(22)23/h3-4,7-8,11,13,15-16H,5-6,9-10H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 352.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-1-methoxypropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122008720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).