[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate

C24H27NO4 — CID 67440285

IUPAC[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C(\C(=O)NC2CCCCC2)c2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C24H27NO4/c1-17(26)29-22-14-13-18(16-23(22)28-2)15-21(19-9-5-3-6-10-19)24(27)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3,(H,25,27)/b21-15-
InChIKeyGINQWEQFDJMRRI-QNGOZBTKSA-N
MW393.48 g/mol
LogP4.61
Rot. Bonds6

About [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate

[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate (PubChem CID 67440285) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate
PubChem CID67440285
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(/C=C(\C(=O)NC2CCCCC2)c2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C24H27NO4/c1-17(26)29-22-14-13-18(16-23(22)28-2)15-21(19-9-5-3-6-10-19)24(27)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3,(H,25,27)/b21-15-
InChIKeyGINQWEQFDJMRRI-QNGOZBTKSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2930228
methyl 3-(4-acetyloxy-3-methoxyphenyl)-2-phenylprop-2-enoate
CID 131854961
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
(E)-N-(3,4-dihydro-2H-chromen-4-yl)-3-(3,4-dimethoxyphenyl)-2-phenylprop-2-enamide
CID 108757186
2-[4-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetic acid
CID 94851253
(E)-2-cyano-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 7784022
[4-[(Z)-2-benzamido-3-(4-chloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 2272792
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
[4-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] acetate
CID 5419986
[4-[(E)-3-[(4,4-dimethylcyclohexyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 19004770

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate (CID 67440285) is [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate is COc1cc(/C=C(\C(=O)NC2CCCCC2)c2ccccc2)ccc1OC(C)=O.
What is the InChIKey of [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate?
The InChIKey is GINQWEQFDJMRRI-QNGOZBTKSA-N. The full InChI is InChI=1S/C24H27NO4/c1-17(26)29-22-14-13-18(16-23(22)28-2)15-21(19-9-5-3-6-10-19)24(27)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20H,4,7-8,11-12H2,1-2H3,(H,25,27)/b21-15-.
What are the key properties of [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate?
[4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate has a molecular weight of 393.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-(cyclohexylamino)-3-oxo-2-phenylprop-1-enyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 67440285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).