(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide

C17H24N2O2 — CID 115344193

IUPAC(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCCOC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h6-11,16H,1-5,12-13,18H2,(H,19,20)/b11-8+
InChIKeyTVZZCYRFLXZKFS-DHZHZOJOSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds6

About (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide (PubChem CID 115344193) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide
PubChem CID115344193
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)NCCOC2CCCCC2)cc1
InChIInChI=1S/C17H24N2O2/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h6-11,16H,1-5,12-13,18H2,(H,19,20)/b11-8+
InChIKeyTVZZCYRFLXZKFS-DHZHZOJOSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(4-methylcyclohexyl)methyl]prop-2-enamide
CID 115344107
(E)-N-(4-aminobutyl)-3-(4-aminophenyl)prop-2-enamide
CID 113290885
(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 134030048
(E)-3-(4-aminophenyl)-N-(2-cyanoethyl)prop-2-enamide
CID 115342781
methyl 4-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]butanoate
CID 115343650
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
(E)-3-(4-aminophenyl)-N-[(1S)-1-cyclohexylethyl]prop-2-enamide
CID 115344773
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
CID 83202117
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide (CID 115344193) is (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)NCCOC2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide?
The InChIKey is TVZZCYRFLXZKFS-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-15-9-6-14(7-10-15)8-11-17(20)19-12-13-21-16-4-2-1-3-5-16/h6-11,16H,1-5,12-13,18H2,(H,19,20)/b11-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(2-cyclohexyloxyethyl)prop-2-enamide is sourced from PubChem (CID 115344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).