ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate

C18H25FN2O4 — CID 66762365

IUPACethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(C(=O)NCCN)cc2F)CC1
InChIInChI=1S/C18H25FN2O4/c1-2-24-18(23)12-3-6-14(7-4-12)25-16-8-5-13(11-15(16)19)17(22)21-10-9-20/h5,8,11-12,14H,2-4,6-7,9-10,20H2,1H3,(H,21,22)
InChIKeySJKWLOJZVIJLJW-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.01
Rot. Bonds7

About ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate

ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate (PubChem CID 66762365) has the molecular formula C18H25FN2O4 and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate
PubChem CID66762365
Molecular FormulaC18H25FN2O4
Molecular Weight352.41 g/mol
Exact Mass352.18
IUPAC Nameethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(Oc2ccc(C(=O)NCCN)cc2F)CC1
InChIInChI=1S/C18H25FN2O4/c1-2-24-18(23)12-3-6-14(7-4-12)25-16-8-5-13(11-15(16)19)17(22)21-10-9-20/h5,8,11-12,14H,2-4,6-7,9-10,20H2,1H3,(H,21,22)
InChIKeySJKWLOJZVIJLJW-UHFFFAOYSA-N
XLogP2.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-[(3-chloro-4-methylbenzoyl)amino]butanoyl]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 149400375
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
ethyl 4-[4-(4-aminobutanoyl)-2,6-difluorophenoxy]cyclohexane-1-carboxylate
CID 162247259
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 4-[4-[2-(phenylcarbamoylamino)ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylate
CID 66761978
4-[2,5-difluoro-4-[4-(naphthalene-2-carbonylamino)butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 160709675
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
ethyl 4-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 66761492
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
4-[2,6-difluoro-4-[4-(naphthalene-2-carbonylamino)butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 162216330
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate (CID 66762365) is ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(Oc2ccc(C(=O)NCCN)cc2F)CC1.
What is the InChIKey of ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate?
The InChIKey is SJKWLOJZVIJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O4/c1-2-24-18(23)12-3-6-14(7-4-12)25-16-8-5-13(11-15(16)19)17(22)21-10-9-20/h5,8,11-12,14H,2-4,6-7,9-10,20H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate?
ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-aminoethylcarbamoyl)-2-fluorophenoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 66762365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).