(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate

C17H25NO2 — CID 64775888

IUPAC(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
SMILESCCC1CCC(OC(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-13-5-10-16(11-6-13)20-17(19)12-7-14-3-8-15(18)9-4-14/h3-4,8-9,13,16H,2,5-7,10-12,18H2,1H3
InChIKeyNLVJJEURGAEBRY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.71
Rot. Bonds5

About (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate

(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate (PubChem CID 64775888) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
PubChem CID64775888
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate
SMILESCCC1CCC(OC(=O)CCc2ccc(N)cc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-13-5-10-16(11-6-13)20-17(19)12-7-14-3-8-15(18)9-4-14/h3-4,8-9,13,16H,2,5-7,10-12,18H2,1H3
InChIKeyNLVJJEURGAEBRY-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.71
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

[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
[4-(4-aminophenyl)cyclohexyl] butanoate
CID 175259325
(2-ethoxy-2-oxoethyl) 3-(4-aminophenyl)propanoate
CID 61314877
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
(4-hydroxycyclohexyl) 3-phenylpropanoate
CID 132584936
cyclohexyl 3-(4-hydroxyphenyl)propanoate
CID 13086547
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
(4-methylcyclohexyl) 3-(4-aminophenoxy)propanoate
CID 61310429
4-(2-diethoxysilylethyl)aniline
CID 150437018
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate?
The IUPAC name of (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate (CID 64775888) is (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate.
What is the SMILES notation for (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate?
The canonical SMILES for (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate is CCC1CCC(OC(=O)CCc2ccc(N)cc2)CC1.
What is the InChIKey of (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate?
The InChIKey is NLVJJEURGAEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-5-10-16(11-6-13)20-17(19)12-7-14-3-8-15(18)9-4-14/h3-4,8-9,13,16H,2,5-7,10-12,18H2,1H3.
What are the key properties of (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate?
(4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate has a molecular weight of 275.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl) 3-(4-aminophenyl)propanoate is sourced from PubChem (CID 64775888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).