cyclohexylmethyl 3-(4-aminophenyl)propanoate

C16H23NO2 — CID 61314323

IUPACcyclohexylmethyl 3-(4-aminophenyl)propanoate
SMILESNc1ccc(CCC(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12,17H2
InChIKeyJRFWOFUEHKLDCB-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds5

About cyclohexylmethyl 3-(4-aminophenyl)propanoate

cyclohexylmethyl 3-(4-aminophenyl)propanoate (PubChem CID 61314323) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexylmethyl 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Namecyclohexylmethyl 3-(4-aminophenyl)propanoate
PubChem CID61314323
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexylmethyl 3-(4-aminophenyl)propanoate
SMILESNc1ccc(CCC(=O)OCC2CCCCC2)cc1
InChIInChI=1S/C16H23NO2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12,17H2
InChIKeyJRFWOFUEHKLDCB-UHFFFAOYSA-N
XLogP3.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508
cyclopentylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 66323165
cyclopentylmethyl 3-(4-aminophenoxy)propanoate
CID 61343403
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
cyclohexylmethyl 4-(2-aminoethyl)benzoate
CID 55068002
cyclohexylmethyl 2-(4-sulfanylphenyl)acetate
CID 107018726
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
CID 64775888
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717151
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
(3,5-difluorophenyl)methyl 3-(4-aminophenyl)propanoate
CID 105407572

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 3-(4-aminophenyl)propanoate?
The IUPAC name of cyclohexylmethyl 3-(4-aminophenyl)propanoate (CID 61314323) is cyclohexylmethyl 3-(4-aminophenyl)propanoate.
What is the SMILES notation for cyclohexylmethyl 3-(4-aminophenyl)propanoate?
The canonical SMILES for cyclohexylmethyl 3-(4-aminophenyl)propanoate is Nc1ccc(CCC(=O)OCC2CCCCC2)cc1.
What is the InChIKey of cyclohexylmethyl 3-(4-aminophenyl)propanoate?
The InChIKey is JRFWOFUEHKLDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h6-7,9-10,14H,1-5,8,11-12,17H2.
What are the key properties of cyclohexylmethyl 3-(4-aminophenyl)propanoate?
cyclohexylmethyl 3-(4-aminophenyl)propanoate has a molecular weight of 261.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 61314323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).