(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide

C23H28N2O — CID 70543952

IUPAC(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide
SMILESNc1cccc(/C(=C\C(=O)NC2CCCCCCC2)c2ccccc2)c1
InChIInChI=1S/C23H28N2O/c24-20-13-9-12-19(16-20)22(18-10-5-4-6-11-18)17-23(26)25-21-14-7-2-1-3-8-15-21/h4-6,9-13,16-17,21H,1-3,7-8,14-15,24H2,(H,25,26)/b22-17-
InChIKeyCKUBRUCAMLQFAR-XLNRJJMWSA-N
MW348.49 g/mol
LogP4.93
Rot. Bonds4

About (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide

(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide (PubChem CID 70543952) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide
PubChem CID70543952
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide
SMILESNc1cccc(/C(=C\C(=O)NC2CCCCCCC2)c2ccccc2)c1
InChIInChI=1S/C23H28N2O/c24-20-13-9-12-19(16-20)22(18-10-5-4-6-11-18)17-23(26)25-21-14-7-2-1-3-8-15-21/h4-6,9-13,16-17,21H,1-3,7-8,14-15,24H2,(H,25,26)/b22-17-
InChIKeyCKUBRUCAMLQFAR-XLNRJJMWSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
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2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-amino-N-(1-cyclohexylpiperidin-4-yl)benzamide
CID 119895195
(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
CID 6186115
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide (CID 70543952) is (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide is Nc1cccc(/C(=C\C(=O)NC2CCCCCCC2)c2ccccc2)c1.
What is the InChIKey of (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide?
The InChIKey is CKUBRUCAMLQFAR-XLNRJJMWSA-N. The full InChI is InChI=1S/C23H28N2O/c24-20-13-9-12-19(16-20)22(18-10-5-4-6-11-18)17-23(26)25-21-14-7-2-1-3-8-15-21/h4-6,9-13,16-17,21H,1-3,7-8,14-15,24H2,(H,25,26)/b22-17-.
What are the key properties of (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide?
(Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide has a molecular weight of 348.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-aminophenyl)-N-cyclooctyl-3-phenylprop-2-enamide is sourced from PubChem (CID 70543952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).