cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate

C23H25NO4 — CID 17128702

IUPACcyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-27-20-14-7-17(8-15-20)9-16-22(25)24-19-12-10-18(11-13-19)23(26)28-21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,24,25)/b16-9+
InChIKeyLHJUUXSVUUGESE-CXUHLZMHSA-N
MW379.46 g/mol
LogP4.84
Rot. Bonds6

About cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate

cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate (PubChem CID 17128702) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
PubChem CID17128702
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namecyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25NO4/c1-27-20-14-7-17(8-15-20)9-16-22(25)24-19-12-10-18(11-13-19)23(26)28-21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,24,25)/b16-9+
InChIKeyLHJUUXSVUUGESE-CXUHLZMHSA-N
XLogP4.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19175163
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclododecyl 4-acetamidobenzoate
CID 3973983
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-cyclohexyl-4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide
CID 28587889
methyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 1040452
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate?
The IUPAC name of cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate (CID 17128702) is cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate?
The canonical SMILES for cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate is COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1.
What is the InChIKey of cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate?
The InChIKey is LHJUUXSVUUGESE-CXUHLZMHSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-20-14-7-17(8-15-20)9-16-22(25)24-19-12-10-18(11-13-19)23(26)28-21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,24,25)/b16-9+.
What are the key properties of cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate?
cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate has a molecular weight of 379.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate is sourced from PubChem (CID 17128702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).